3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide

C11H22N2O3S — CID 94800013

IUPAC3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-9-4-3-5-10(8-9)13-11(14)6-7-12-17(2,15)16/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyFDCHFRZKXSEXHG-ZJUUUORDSA-N
MW262.37 g/mol
LogP0.62
Rot. Bonds5

About 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide

3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide (PubChem CID 94800013) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide
PubChem CID94800013
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-9-4-3-5-10(8-9)13-11(14)6-7-12-17(2,15)16/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyFDCHFRZKXSEXHG-ZJUUUORDSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
N-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 60850780
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
N-(3-methylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 114546265
(3-methylcyclohexyl)carbamic acid
CID 67410451
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 114550202
2-(4-aminocyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 62781685
3-(2-hydroxyphenyl)-N-(3-methylcyclohexyl)propanamide
CID 47161541
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide (CID 94800013) is 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide is C[C@@H]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide?
The InChIKey is FDCHFRZKXSEXHG-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-4-3-5-10(8-9)13-11(14)6-7-12-17(2,15)16/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide?
3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide is sourced from PubChem (CID 94800013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).