3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine

C11H25NOS — CID 20706633

IUPAC3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine
SMILESC=S(C)(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-10(2,3)11(4,5)8-9-12-14(6,7)13/h6,8-9H2,1-5,7H3,(H,12,13)
InChIKeyXCIHZMKJLRJTNK-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.30
Rot. Bonds4

About 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine

3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine (PubChem CID 20706633) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine
PubChem CID20706633
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine
SMILESC=S(C)(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-10(2,3)11(4,5)8-9-12-14(6,7)13/h6,8-9H2,1-5,7H3,(H,12,13)
InChIKeyXCIHZMKJLRJTNK-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine 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 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine?
The IUPAC name of 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine (CID 20706633) is 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine.
What is the SMILES notation for 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine?
The canonical SMILES for 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine is C=S(C)(=O)NCCC(C)(C)C(C)(C)C.
What is the InChIKey of 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine?
The InChIKey is XCIHZMKJLRJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(2,3)11(4,5)8-9-12-14(6,7)13/h6,8-9H2,1-5,7H3,(H,12,13).
What are the key properties of 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine?
3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)pentan-1-amine is sourced from PubChem (CID 20706633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).