2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine

C7H17NOS — CID 140616385

IUPAC2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine
SMILESC=S(=O)(C(C)C)C(C)(C)N
InChIInChI=1S/C7H17NOS/c1-6(2)10(5,9)7(3,4)8/h6H,5,8H2,1-4H3
InChIKeyJUFOBPYCUOLYTE-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.81
Rot. Bonds2

About 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine

2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine (PubChem CID 140616385) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine
PubChem CID140616385
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine
SMILESC=S(=O)(C(C)C)C(C)(C)N
InChIInChI=1S/C7H17NOS/c1-6(2)10(5,9)7(3,4)8/h6H,5,8H2,1-4H3
InChIKeyJUFOBPYCUOLYTE-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methylidene-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane
CID 167588573
2-aminopropane-2-sulfonic acid
CID 18332427
2-(N-amino-S-propan-2-ylsulfonimidoyl)propane
CID 167144720
methanesulfonic acid;2,3,4-trimethylpentan-3-amine
CID 173156179
(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide
CID 143368080
tert-butyl-imino-oxo-propan-2-yl-λ6-sulfane
CID 125457263
2-amino-2-methylpropan-1-ol;2-hydroxypropane-1-sulfonic acid
CID 87716650
2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine
CID 106726948
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836
2-methylsulfonylpropane
CID 163990602
4-amino-4-methyl-1-propan-2-ylsulfonylheptan-3-one
CID 106736228
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782

Frequently Asked Questions

What is the IUPAC name of 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine?
The IUPAC name of 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine (CID 140616385) is 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine.
What is the SMILES notation for 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine?
The canonical SMILES for 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine is C=S(=O)(C(C)C)C(C)(C)N.
What is the InChIKey of 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine?
The InChIKey is JUFOBPYCUOLYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(2)10(5,9)7(3,4)8/h6H,5,8H2,1-4H3.
What are the key properties of 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine?
2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine has a molecular weight of 163.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine is sourced from PubChem (CID 140616385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).