1-methylsulfinylpropan-2-amine

C4H11NOS — CID 58684000

IUPAC1-methylsulfinylpropan-2-amine
SMILESCC(N)CS(C)=O
InChIInChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3
InChIKeyGKPYCCZIRSEVMW-UHFFFAOYSA-N
MW121.20 g/mol
LogP-0.29
Rot. Bonds2

About 1-methylsulfinylpropan-2-amine

1-methylsulfinylpropan-2-amine (PubChem CID 58684000) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 1-methylsulfinylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfinylpropan-2-amine
PubChem CID58684000
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name1-methylsulfinylpropan-2-amine
SMILESCC(N)CS(C)=O
InChIInChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3
InChIKeyGKPYCCZIRSEVMW-UHFFFAOYSA-N
XLogP-0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-3-methylsulfinylpropane-1-thiol
CID 15159721
2-Amino-4-methylsulfinylbutane-1-thiol
CID 44458314
4-Methanesulfonylbutan-2-amine
CID 23562465
1-(Methylsulfanyl)propan-2-amine
CID 12097392
3-[(S)-methylsulfinyl]propan-1-amine
CID 51534039
4-Methanesulfinylbutan-1-amine
CID 12981639
4-(Methylsulfanyl)butan-2-amine
CID 22979404
2-Methanesulfinylpropan-1-amine
CID 53806283
2-(2-Aminoethanesulfinyl)-2-methylpropane
CID 54592933
1-Methanesulfonylpropan-2-amine hydrochloride
CID 54593155
3-Amino-1lambda4-thiolan-1-one hydrochloride
CID 54595889
1-Butanamine, 3-(methylsulfinyl)-
CID 58685055

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylpropan-2-amine?
The IUPAC name of 1-methylsulfinylpropan-2-amine (CID 58684000) is 1-methylsulfinylpropan-2-amine.
What is the SMILES notation for 1-methylsulfinylpropan-2-amine?
The canonical SMILES for 1-methylsulfinylpropan-2-amine is CC(N)CS(C)=O.
What is the InChIKey of 1-methylsulfinylpropan-2-amine?
The InChIKey is GKPYCCZIRSEVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3.
What are the key properties of 1-methylsulfinylpropan-2-amine?
1-methylsulfinylpropan-2-amine has a molecular weight of 121.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylpropan-2-amine is sourced from PubChem (CID 58684000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).