(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide

C14H24N4O6S — CID 163315676

IUPAC(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide
SMILESCOCc1noc(CNC(=O)[C@H]2CC[C@@H](NS(C)(=O)=O)[C@H](OC)C2)n1
InChIInChI=1S/C14H24N4O6S/c1-22-8-12-16-13(24-17-12)7-15-14(19)9-4-5-10(11(6-9)23-2)18-25(3,20)21/h9-11,18H,4-8H2,1-3H3,(H,15,19)/t9-,10+,11+/m0/s1
InChIKeyNETLOIDDMSIGQN-HBNTYKKESA-N
MW376.44 g/mol
LogP-0.43
Rot. Bonds8

About (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide

(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 163315676) has the molecular formula C14H24N4O6S and a molecular weight of 376.44 g/mol. Its IUPAC name is (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide
PubChem CID163315676
Molecular FormulaC14H24N4O6S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide
SMILESCOCc1noc(CNC(=O)[C@H]2CC[C@@H](NS(C)(=O)=O)[C@H](OC)C2)n1
InChIInChI=1S/C14H24N4O6S/c1-22-8-12-16-13(24-17-12)7-15-14(19)9-4-5-10(11(6-9)23-2)18-25(3,20)21/h9-11,18H,4-8H2,1-3H3,(H,15,19)/t9-,10+,11+/m0/s1
InChIKeyNETLOIDDMSIGQN-HBNTYKKESA-N
XLogP-0.43
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide
CID 163338210
(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162630309
(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 162625671
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 72866993
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 163334504
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide (CID 163315676) is (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide is COCc1noc(CNC(=O)[C@H]2CC[C@@H](NS(C)(=O)=O)[C@H](OC)C2)n1.
What is the InChIKey of (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is NETLOIDDMSIGQN-HBNTYKKESA-N. The full InChI is InChI=1S/C14H24N4O6S/c1-22-8-12-16-13(24-17-12)7-15-14(19)9-4-5-10(11(6-9)23-2)18-25(3,20)21/h9-11,18H,4-8H2,1-3H3,(H,15,19)/t9-,10+,11+/m0/s1.
What are the key properties of (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide?
(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 376.44 g/mol, XLogP of -0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 163315676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).