(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide

C17H30N4O4S — CID 162632069

IUPAC(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@H]1C[C@@H](C(=O)NCc2cn(C)nc2C)CC[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H30N4O4S/c1-5-8-25-16-9-13(6-7-15(16)20-26(4,23)24)17(22)18-10-14-11-21(3)19-12(14)2/h11,13,15-16,20H,5-10H2,1-4H3,(H,18,22)/t13-,15-,16-/m0/s1
InChIKeyRSZQKBFOYNHMBK-BPUTZDHNSA-N
MW386.52 g/mol
LogP0.86
Rot. Bonds8

About (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide

(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide (PubChem CID 162632069) has the molecular formula C17H30N4O4S and a molecular weight of 386.52 g/mol. Its IUPAC name is (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide
PubChem CID162632069
Molecular FormulaC17H30N4O4S
Molecular Weight386.52 g/mol
Exact Mass386.20
IUPAC Name(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@H]1C[C@@H](C(=O)NCc2cn(C)nc2C)CC[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H30N4O4S/c1-5-8-25-16-9-13(6-7-15(16)20-26(4,23)24)17(22)18-10-14-11-21(3)19-12(14)2/h11,13,15-16,20H,5-10H2,1-4H3,(H,18,22)/t13-,15-,16-/m0/s1
InChIKeyRSZQKBFOYNHMBK-BPUTZDHNSA-N
XLogP0.86
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155498362
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
(1S,3R,4R)-4-(ethylcarbamoylamino)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-propoxycyclohexane-1-carboxamide
CID 155505918
(1S,3R,4R)-4-(oxan-4-ylamino)-3-propoxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 157018454
(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 162625671
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
(1S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-N-[(3-methyl-4-pyridinyl)methyl]-4-propoxycyclohexane-1-carboxamide
CID 157012705
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
(1S,3R,4R)-3-(cyclopentylamino)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-propoxycyclohexane-1-carboxamide
CID 157012237
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 56880438
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
(1R,2S,3S,4R)-3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124717628

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide (CID 162632069) is (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide is CCCO[C@H]1C[C@@H](C(=O)NCc2cn(C)nc2C)CC[C@@H]1NS(C)(=O)=O.
What is the InChIKey of (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide?
The InChIKey is RSZQKBFOYNHMBK-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H30N4O4S/c1-5-8-25-16-9-13(6-7-15(16)20-26(4,23)24)17(22)18-10-14-11-21(3)19-12(14)2/h11,13,15-16,20H,5-10H2,1-4H3,(H,18,22)/t13-,15-,16-/m0/s1.
What are the key properties of (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide?
(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 162632069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).