N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide

C15H24N2O3S — CID 146123683

IUPACN-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide
SMILESCC(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C1CCCCC1
InChIInChI=1S/C15H24N2O3S/c1-12(13-5-3-2-4-6-13)9-14(18)17-21(19,20)11-15(10-16)7-8-15/h12-13H,2-9,11H2,1H3,(H,17,18)
InChIKeyHSKAUZPYLOWYOG-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.34
Rot. Bonds6

About N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide

N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide (PubChem CID 146123683) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide.

Molecular Properties

Compound NameN-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide
PubChem CID146123683
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide
SMILESCC(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C1CCCCC1
InChIInChI=1S/C15H24N2O3S/c1-12(13-5-3-2-4-6-13)9-14(18)17-21(19,20)11-15(10-16)7-8-15/h12-13H,2-9,11H2,1H3,(H,17,18)
InChIKeyHSKAUZPYLOWYOG-UHFFFAOYSA-N
XLogP2.34
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexylbutanoate
CID 3992120
(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
CID 94201534
1-(1-cyanocyclopropyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]methanesulfonamide
CID 99718319
6-cyclohexyl-2-methylheptane-3,4-dione
CID 158402815
3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119503732
2-[4-(3-cyclohexylbutanoylamino)oxan-4-yl]acetic acid
CID 119214680
cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120676482
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650989
N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
CID 119408410
N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120650988
1-cyclohexylethanone;1,3-dicyclohexylbutan-1-one
CID 163526339

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide?
The IUPAC name of N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide (CID 146123683) is N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide.
What is the SMILES notation for N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide?
The canonical SMILES for N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide is CC(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C1CCCCC1.
What is the InChIKey of N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide?
The InChIKey is HSKAUZPYLOWYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(13-5-3-2-4-6-13)9-14(18)17-21(19,20)11-15(10-16)7-8-15/h12-13H,2-9,11H2,1H3,(H,17,18).
What are the key properties of N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide?
N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide is sourced from PubChem (CID 146123683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).