1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide

C14H22N2O2S — CID 99718319

IUPAC1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide
SMILESN#CC1(CS(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C14H22N2O2S/c15-9-14(6-7-14)10-19(17,18)16-13-8-12(13)11-4-2-1-3-5-11/h11-13,16H,1-8,10H2/t12-,13+/m0/s1
InChIKeyNGGGTCQBEYWPTB-QWHCGFSZSA-N
MW282.41 g/mol
LogP2.18
Rot. Bonds5

About 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide

1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide (PubChem CID 99718319) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide
PubChem CID99718319
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide
SMILESN#CC1(CS(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C14H22N2O2S/c15-9-14(6-7-14)10-19(17,18)16-13-8-12(13)11-4-2-1-3-5-11/h11-13,16H,1-8,10H2/t12-,13+/m0/s1
InChIKeyNGGGTCQBEYWPTB-QWHCGFSZSA-N
XLogP2.18
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide
CID 146123683
(1-cyanocyclopropyl)methanesulfonamide
CID 75450915
(1-cyanocyclobutyl)methanesulfonyl chloride
CID 75480697
1-[(2R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[(1R,2R)-2-[[(4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]cyclohexyl]methanesulfonamide
CID 156666604
1-(2,5-dihydropyrrol-1-ylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 175807928
N-(2-cyclopropylcyclopropyl)propane-2-sulfonamide
CID 168726732
1-(trifluoromethylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 130683227
N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 10019560
5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide
CID 141117908
1-amino-N-(2-cyclohexylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119335207
N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 136528429
3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
CID 62646058

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide?
The IUPAC name of 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide (CID 99718319) is 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide.
What is the SMILES notation for 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide?
The canonical SMILES for 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide is N#CC1(CS(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1.
What is the InChIKey of 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide?
The InChIKey is NGGGTCQBEYWPTB-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-9-14(6-7-14)10-19(17,18)16-13-8-12(13)11-4-2-1-3-5-11/h11-13,16H,1-8,10H2/t12-,13+/m0/s1.
What are the key properties of 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide?
1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide is sourced from PubChem (CID 99718319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).