N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide

C17H30N2OS — CID 89026512

IUPACN,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide
SMILESCN(C(=O)CCC(N=S)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2OS/c1-19(15-10-6-3-7-11-15)17(20)13-12-16(18-21)14-8-4-2-5-9-14/h14-16H,2-13H2,1H3
InChIKeyAQZBGLYJFOPYPB-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.24
Rot. Bonds6

About N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide

N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide (PubChem CID 89026512) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide.

Molecular Properties

Compound NameN,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide
PubChem CID89026512
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide
SMILESCN(C(=O)CCC(N=S)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2OS/c1-19(15-10-6-3-7-11-15)17(20)13-12-16(18-21)14-8-4-2-5-9-14/h14-16H,2-13H2,1H3
InChIKeyAQZBGLYJFOPYPB-UHFFFAOYSA-N
XLogP4.24
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130678772
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
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N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
N,4-dicyclohexyl-4-(5-fluoro-2-nitroanilino)-N-methylbutanamide
CID 58525879
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
3-cyano-N-cyclopentyl-N-methylpropanamide
CID 115173721
6-amino-N-cyclopentyl-N-methylhexanamide
CID 43267226
5-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 82850535

Frequently Asked Questions

What is the IUPAC name of N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide?
The IUPAC name of N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide (CID 89026512) is N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide.
What is the SMILES notation for N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide?
The canonical SMILES for N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide is CN(C(=O)CCC(N=S)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide?
The InChIKey is AQZBGLYJFOPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-19(15-10-6-3-7-11-15)17(20)13-12-16(18-21)14-8-4-2-5-9-14/h14-16H,2-13H2,1H3.
What are the key properties of N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide?
N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide has a molecular weight of 310.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dicyclohexyl-N-methyl-4-thionitrosobutanamide is sourced from PubChem (CID 89026512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).