N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide

C13H26N2OS — CID 55260518

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CN(C)C(=O)CC(C)C(C)(C)C)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-9(12(14)17)8-15(6)11(16)7-10(2)13(3,4)5/h9-10H,7-8H2,1-6H3,(H2,14,17)
InChIKeyAVJYAYKYLKVXAQ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.44
Rot. Bonds5

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide (PubChem CID 55260518) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
PubChem CID55260518
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CN(C)C(=O)CC(C)C(C)(C)C)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-9(12(14)17)8-15(6)11(16)7-10(2)13(3,4)5/h9-10H,7-8H2,1-6H3,(H2,14,17)
InChIKeyAVJYAYKYLKVXAQ-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide (CID 55260518) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide is CC(CN(C)C(=O)CC(C)C(C)(C)C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
The InChIKey is AVJYAYKYLKVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-9(12(14)17)8-15(6)11(16)7-10(2)13(3,4)5/h9-10H,7-8H2,1-6H3,(H2,14,17).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide has a molecular weight of 258.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide is sourced from PubChem (CID 55260518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).