N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide

C14H26N2OS — CID 82103905

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCC(N)=S)C1CCCCC1
InChIInChI=1S/C14H26N2OS/c1-11(2)10-14(17)16(9-8-13(15)18)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,15,18)
InChIKeyHGRQHXQUPVAUCG-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.87
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide (PubChem CID 82103905) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
PubChem CID82103905
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCC(N)=S)C1CCCCC1
InChIInChI=1S/C14H26N2OS/c1-11(2)10-14(17)16(9-8-13(15)18)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,15,18)
InChIKeyHGRQHXQUPVAUCG-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.87
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-cyclohexyl-2-methoxyacetamide
CID 82103917
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 82324129
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-(3-amino-3-sulfanylidenepropyl)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 82103958
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
CID 82103913
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentyl-4-methylbenzamide
CID 82103884

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide (CID 82103905) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide is CC(C)CC(=O)N(CCC(N)=S)C1CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide?
The InChIKey is HGRQHXQUPVAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(2)10-14(17)16(9-8-13(15)18)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,15,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.87, 6 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-3-methylbutanamide is sourced from PubChem (CID 82103905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).