N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide

C17H24N2OS — CID 82103913

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCC(N)=S)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2OS/c1-13-7-9-14(10-8-13)17(20)19(12-11-16(18)21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,21)
InChIKeyQKAZELMSUPOBDJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.45
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide (PubChem CID 82103913) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
PubChem CID82103913
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCC(N)=S)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2OS/c1-13-7-9-14(10-8-13)17(20)19(12-11-16(18)21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,21)
InChIKeyQKAZELMSUPOBDJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentyl-4-methylbenzamide
CID 82103884
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropyl-4-methylbenzamide
CID 81472167
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
CID 54996464
N-(3-amino-3-sulfanylidenepropyl)-3,5-dichloro-N-cyclopropylbenzamide
CID 54996849
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-3-chloro-N-cyclopropylbenzamide
CID 81294852
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-(3-amino-3-sulfanylidenepropyl)-4-methyl-N-prop-2-enylbenzamide
CID 82103830

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide (CID 82103913) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide is Cc1ccc(C(=O)N(CCC(N)=S)C2CCCCC2)cc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide?
The InChIKey is QKAZELMSUPOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-7-9-14(10-8-13)17(20)19(12-11-16(18)21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,18,21).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide has a molecular weight of 304.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide is sourced from PubChem (CID 82103913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).