N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide

C15H30N2OS — CID 54998383

IUPACN-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide
SMILESCC(CC(=O)N(CCC(N)=S)C(C)C)CC(C)(C)C
InChIInChI=1S/C15H30N2OS/c1-11(2)17(8-7-13(16)19)14(18)9-12(3)10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H2,16,19)
InChIKeyRZZOOPJYVUZIOB-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.36
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide

N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide (PubChem CID 54998383) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide
PubChem CID54998383
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide
SMILESCC(CC(=O)N(CCC(N)=S)C(C)C)CC(C)(C)C
InChIInChI=1S/C15H30N2OS/c1-11(2)17(8-7-13(16)19)14(18)9-12(3)10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H2,16,19)
InChIKeyRZZOOPJYVUZIOB-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide (CID 54998383) is N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide is CC(CC(=O)N(CCC(N)=S)C(C)C)CC(C)(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide?
The InChIKey is RZZOOPJYVUZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-11(2)17(8-7-13(16)19)14(18)9-12(3)10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide?
N-(3-amino-3-sulfanylidenepropyl)-3,5,5-trimethyl-N-propan-2-ylhexanamide has a molecular weight of 286.49 g/mol, XLogP of 3.36, 7 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)-3,5,5-trimethyl-N-propan-2-ylhexanamide is sourced from PubChem (CID 54998383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).