3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide

C15H28N2OS — CID 103966862

IUPAC3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)C(N)=S)CC(C)(C)C1
InChIInChI=1S/C15H28N2OS/c1-13(2)7-10(8-14(3,4)9-13)17-12(18)15(5,6)11(16)19/h10H,7-9H2,1-6H3,(H2,16,19)(H,17,18)
InChIKeyYANDPRYTMUUMSY-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide

3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide (PubChem CID 103966862) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
PubChem CID103966862
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)C(N)=S)CC(C)(C)C1
InChIInChI=1S/C15H28N2OS/c1-13(2)7-10(8-14(3,4)9-13)17-12(18)15(5,6)11(16)19/h10H,7-9H2,1-6H3,(H2,16,19)(H,17,18)
InChIKeyYANDPRYTMUUMSY-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide (CID 103966862) is 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide is CC1(C)CC(NC(=O)C(C)(C)C(N)=S)CC(C)(C)C1.
What is the InChIKey of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The InChIKey is YANDPRYTMUUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-13(2)7-10(8-14(3,4)9-13)17-12(18)15(5,6)11(16)19/h10H,7-9H2,1-6H3,(H2,16,19)(H,17,18).
What are the key properties of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide has a molecular weight of 284.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide is sourced from PubChem (CID 103966862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).