N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide

C16H34N2OS2 — CID 171508571

IUPACN-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)N
InChIInChI=1S/C16H34N2OS2/c1-12(19)18-14(4,5)11-16(8,9)21-20-15(6,7)10-13(2,3)17/h10-11,17H2,1-9H3,(H,18,19)
InChIKeyCRQPBOCEARIQJV-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.36
Rot. Bonds8

About N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide

N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide (PubChem CID 171508571) has the molecular formula C16H34N2OS2 and a molecular weight of 334.60 g/mol. Its IUPAC name is N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide
PubChem CID171508571
Molecular FormulaC16H34N2OS2
Molecular Weight334.60 g/mol
Exact Mass334.21
IUPAC NameN-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)N
InChIInChI=1S/C16H34N2OS2/c1-12(19)18-14(4,5)11-16(8,9)21-20-15(6,7)10-13(2,3)17/h10-11,17H2,1-9H3,(H,18,19)
InChIKeyCRQPBOCEARIQJV-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide?
The IUPAC name of N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide (CID 171508571) is N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide.
What is the SMILES notation for N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide?
The canonical SMILES for N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide is CC(=O)NC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)N.
What is the InChIKey of N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide?
The InChIKey is CRQPBOCEARIQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2OS2/c1-12(19)18-14(4,5)11-16(8,9)21-20-15(6,7)10-13(2,3)17/h10-11,17H2,1-9H3,(H,18,19).
What are the key properties of N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide?
N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide has a molecular weight of 334.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-amino-2,4-dimethylpentan-2-yl)disulfanyl]-2,4-dimethylpentan-2-yl]acetamide is sourced from PubChem (CID 171508571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).