2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine

C7H17NOS — CID 58183234

IUPAC2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine
SMILESC=S(C)(=O)NCC(C)(C)C
InChIInChI=1S/C7H17NOS/c1-7(2,3)6-8-10(4,5)9/h4,6H2,1-3,5H3,(H,8,9)
InChIKeyPTRWSGVHUCXQKD-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.88
Rot. Bonds2

About 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine

2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine (PubChem CID 58183234) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine
PubChem CID58183234
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine
SMILESC=S(C)(=O)NCC(C)(C)C
InChIInChI=1S/C7H17NOS/c1-7(2,3)6-8-10(4,5)9/h4,6H2,1-3,5H3,(H,8,9)
InChIKeyPTRWSGVHUCXQKD-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine (CID 58183234) is 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine is C=S(C)(=O)NCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
The InChIKey is PTRWSGVHUCXQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(2,3)6-8-10(4,5)9/h4,6H2,1-3,5H3,(H,8,9).
What are the key properties of 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine?
2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propan-1-amine is sourced from PubChem (CID 58183234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).