N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide

C12H22N2O2S — CID 61122891

IUPACN-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(C#N)CCC(CC)CC1
InChIInChI=1S/C12H22N2O2S/c1-3-9-17(15,16)14-12(10-13)7-5-11(4-2)6-8-12/h11,14H,3-9H2,1-2H3
InChIKeySDTLAVGDPYDYRJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.18
Rot. Bonds5

About N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide

N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide (PubChem CID 61122891) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide
PubChem CID61122891
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(C#N)CCC(CC)CC1
InChIInChI=1S/C12H22N2O2S/c1-3-9-17(15,16)14-12(10-13)7-5-11(4-2)6-8-12/h11,14H,3-9H2,1-2H3
InChIKeySDTLAVGDPYDYRJ-UHFFFAOYSA-N
XLogP2.18
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61123890
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048028
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
N-[2-[4-cyano-cyclohexyl]-propyl] 2-propanesulfonamide
CID 22624692
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 153296109
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
CID 158218703
4-amino-N-ethylsulfonylcyclohexane-1-carbonitrilium
CID 169825262
N-[1-(aminomethyl)-4-ethylcyclohexyl]ethanesulfonamide
CID 28940762
N-[1-(aminomethyl)-4-ethylcyclohexyl]butane-1-sulfonamide
CID 28940764
N-[1-(aminomethyl)-4-ethylcyclohexyl]propane-1-sulfonamide
CID 28940768
N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 54947838

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide (CID 61122891) is N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1(C#N)CCC(CC)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide?
The InChIKey is SDTLAVGDPYDYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-9-17(15,16)14-12(10-13)7-5-11(4-2)6-8-12/h11,14H,3-9H2,1-2H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide?
N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide has a molecular weight of 258.39 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 N-(1-cyano-4-ethylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 61122891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).