3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide

C13H24N2OS — CID 64731743

IUPAC3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCC1CC(C)CC(NC(=O)C(C)(C)C(N)=S)C1
InChIInChI=1S/C13H24N2OS/c1-8-5-9(2)7-10(6-8)15-12(16)13(3,4)11(14)17/h8-10H,5-7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyKYVVZDHGHFNPAJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide

3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide (PubChem CID 64731743) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
PubChem CID64731743
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCC1CC(C)CC(NC(=O)C(C)(C)C(N)=S)C1
InChIInChI=1S/C13H24N2OS/c1-8-5-9(2)7-10(6-8)15-12(16)13(3,4)11(14)17/h8-10H,5-7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyKYVVZDHGHFNPAJ-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-carbamothioyl-N-(3,5-dimethylcyclohexyl)-2-methylbutanamide
CID 114292362
3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 103966862
2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 114329140
3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114123292
2-amino-N-(3,5-dimethylcyclohexyl)-2-phenylpropanamide
CID 64732725
N-(3,5-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80549992
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 79401014
2-cyano-N-(3,5-dimethylcyclohexyl)-2-ethylbutanamide
CID 64733504
3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 104861590
6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 65458422
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide (CID 64731743) is 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide is CC1CC(C)CC(NC(=O)C(C)(C)C(N)=S)C1.
What is the InChIKey of 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The InChIKey is KYVVZDHGHFNPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-8-5-9(2)7-10(6-8)15-12(16)13(3,4)11(14)17/h8-10H,5-7H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide has a molecular weight of 256.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 64731743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).