cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide

C12H22N2O3S — CID 97091522

IUPACcis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-8-7-11(8)12(15)13-9-3-5-10(6-4-9)14-18(2,16)17/h8-11,14H,3-7H2,1-2H3,(H,13,15)/t8-,9?,10?,11+/m1/s1
InChIKeyDAKHCJNMLREFLB-SFXRXQKFSA-N
MW274.39 g/mol
LogP0.62
Rot. Bonds4

About cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 97091522) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide
PubChem CID97091522
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Namecis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-8-7-11(8)12(15)13-9-3-5-10(6-4-9)14-18(2,16)17/h8-11,14H,3-7H2,1-2H3,(H,13,15)/t8-,9?,10?,11+/m1/s1
InChIKeyDAKHCJNMLREFLB-SFXRXQKFSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815
N-(3-aminocyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 130816162
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
N-(3-cyclopropylcyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 71929788
cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377338
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
CID 131113536
N-cycloheptylmethanesulfonamide
CID 3113423
5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
CID 62783163

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide (CID 97091522) is cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NC1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is DAKHCJNMLREFLB-SFXRXQKFSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-8-7-11(8)12(15)13-9-3-5-10(6-4-9)14-18(2,16)17/h8-11,14H,3-7H2,1-2H3,(H,13,15)/t8-,9?,10?,11+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[4-(methanesulfonamido)cyclohexyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 97091522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).