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

C14H25N5O5S — CID 162630309

IUPAC(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCc2noc(C)n2)CC[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H25N5O5S/c1-9-16-13(17-24-9)8-15-14(20)10-5-6-11(12(7-10)23-4)18-25(21,22)19(2)3/h10-12,18H,5-8H2,1-4H3,(H,15,20)/t10-,11+,12+/m0/s1
InChIKeyXVVQAUPZDOORNB-QJPTWQEYSA-N
MW375.45 g/mol
LogP-0.43
Rot. Bonds7

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

(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 162630309) has the molecular formula C14H25N5O5S and a molecular weight of 375.45 g/mol. Its IUPAC name is (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID162630309
Molecular FormulaC14H25N5O5S
Molecular Weight375.45 g/mol
Exact Mass375.16
IUPAC Name(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCc2noc(C)n2)CC[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H25N5O5S/c1-9-16-13(17-24-9)8-15-14(20)10-5-6-11(12(7-10)23-4)18-25(21,22)19(2)3/h10-12,18H,5-8H2,1-4H3,(H,15,20)/t10-,11+,12+/m0/s1
InChIKeyXVVQAUPZDOORNB-QJPTWQEYSA-N
XLogP-0.43
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxamide
CID 163315676
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 103811687
N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 156584695
formic acid;N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 163338109
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
CID 155917710
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 155972637
(1S,3R,4R)-4-(benzylcarbamoylamino)-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162626449
(1S,3R,4R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-4-[(6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 157017918
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 106832159

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide (CID 162630309) is (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide is CO[C@@H]1C[C@@H](C(=O)NCc2noc(C)n2)CC[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is XVVQAUPZDOORNB-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H25N5O5S/c1-9-16-13(17-24-9)8-15-14(20)10-5-6-11(12(7-10)23-4)18-25(21,22)19(2)3/h10-12,18H,5-8H2,1-4H3,(H,15,20)/t10-,11+,12+/m0/s1.
What are the key properties of (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide?
(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 162630309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).