N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide

C15H32N2OS — CID 123139180

IUPACN-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide
SMILESCC(C)(N)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)S
InChIInChI=1S/C15H32N2OS/c1-12(2,9-15(7,8)19)11(18)17-14(5,6)10-13(3,4)16/h19H,9-10,16H2,1-8H3,(H,17,18)
InChIKeyZHOBWITZSHZMGU-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.13
Rot. Bonds6

About N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide

N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide (PubChem CID 123139180) has the molecular formula C15H32N2OS and a molecular weight of 288.50 g/mol. Its IUPAC name is N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide.

Molecular Properties

Compound NameN-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide
PubChem CID123139180
Molecular FormulaC15H32N2OS
Molecular Weight288.50 g/mol
Exact Mass288.22
IUPAC NameN-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide
SMILESCC(C)(N)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)S
InChIInChI=1S/C15H32N2OS/c1-12(2,9-15(7,8)19)11(18)17-14(5,6)10-13(3,4)16/h19H,9-10,16H2,1-8H3,(H,17,18)
InChIKeyZHOBWITZSHZMGU-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide?
The IUPAC name of N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide (CID 123139180) is N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide.
What is the SMILES notation for N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide?
The canonical SMILES for N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide is CC(C)(N)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)S.
What is the InChIKey of N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide?
The InChIKey is ZHOBWITZSHZMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2OS/c1-12(2,9-15(7,8)19)11(18)17-14(5,6)10-13(3,4)16/h19H,9-10,16H2,1-8H3,(H,17,18).
What are the key properties of N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide?
N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide has a molecular weight of 288.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,4-dimethylpentan-2-yl)-2,2,4-trimethyl-4-sulfanylpentanamide is sourced from PubChem (CID 123139180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).