N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide

C20H36N2O2S — CID 70974499

IUPACN-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
SMILESCC(C)S(=O)NCCCCC(=O)NC1CC=C(C2CCCCC2)CC1
InChIInChI=1S/C20H36N2O2S/c1-16(2)25(24)21-15-7-6-10-20(23)22-19-13-11-18(12-14-19)17-8-4-3-5-9-17/h11,16-17,19,21H,3-10,12-15H2,1-2H3,(H,22,23)
InChIKeyMUDCCJOVZSQOGV-UHFFFAOYSA-N
MW368.59 g/mol
LogP3.99
Rot. Bonds9

About N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide

N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide (PubChem CID 70974499) has the molecular formula C20H36N2O2S and a molecular weight of 368.59 g/mol. Its IUPAC name is N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide.

Molecular Properties

Compound NameN-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
PubChem CID70974499
Molecular FormulaC20H36N2O2S
Molecular Weight368.59 g/mol
Exact Mass368.25
IUPAC NameN-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
SMILESCC(C)S(=O)NCCCCC(=O)NC1CC=C(C2CCCCC2)CC1
InChIInChI=1S/C20H36N2O2S/c1-16(2)25(24)21-15-7-6-10-20(23)22-19-13-11-18(12-14-19)17-8-4-3-5-9-17/h11,16-17,19,21H,3-10,12-15H2,1-2H3,(H,22,23)
InChIKeyMUDCCJOVZSQOGV-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892478
5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide
CID 70974481
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
5-chloro-N-cyclooctylpentanamide
CID 28733608
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide
CID 50983715
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
N,N'-dicyclopropyldecanediamide
CID 4668836
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
The IUPAC name of N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide (CID 70974499) is N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide.
What is the SMILES notation for N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
The canonical SMILES for N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide is CC(C)S(=O)NCCCCC(=O)NC1CC=C(C2CCCCC2)CC1.
What is the InChIKey of N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
The InChIKey is MUDCCJOVZSQOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2S/c1-16(2)25(24)21-15-7-6-10-20(23)22-19-13-11-18(12-14-19)17-8-4-3-5-9-17/h11,16-17,19,21H,3-10,12-15H2,1-2H3,(H,22,23).
What are the key properties of N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide has a molecular weight of 368.59 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide is sourced from PubChem (CID 70974499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).