2-(2-aminopropylsulfinyl)propanamide

C6H14N2O2S — CID 81188607

IUPAC2-(2-aminopropylsulfinyl)propanamide
SMILESCC(N)CS(=O)C(C)C(N)=O
InChIInChI=1S/C6H14N2O2S/c1-4(7)3-11(10)5(2)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)
InChIKeyQRWMDUVVDCZICG-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.04
Rot. Bonds4

About 2-(2-aminopropylsulfinyl)propanamide

2-(2-aminopropylsulfinyl)propanamide (PubChem CID 81188607) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(2-aminopropylsulfinyl)propanamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfinyl)propanamide
PubChem CID81188607
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(2-aminopropylsulfinyl)propanamide
SMILESCC(N)CS(=O)C(C)C(N)=O
InChIInChI=1S/C6H14N2O2S/c1-4(7)3-11(10)5(2)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)
InChIKeyQRWMDUVVDCZICG-UHFFFAOYSA-N
XLogP-1.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81189075
(2R)-1-methylsulfinylpropan-2-amine
CID 88956942
(2S)-1-[(R)-methylsulfinyl]propan-2-amine
CID 96718307
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
3-amino-2-methyl-3-oxopropane-1-sulfinic acid
CID 174845655
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
2-aminopropanamide;ethane
CID 156828005
2-aminopropanamide;dihydrochloride
CID 19963402
5-amino-2-methylhexanamide
CID 71433088
3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide
CID 81188958
2-(1-amino-1-oxopropan-2-yl)sulfinyl-2-methylpropanoic acid
CID 81230491

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfinyl)propanamide?
The IUPAC name of 2-(2-aminopropylsulfinyl)propanamide (CID 81188607) is 2-(2-aminopropylsulfinyl)propanamide.
What is the SMILES notation for 2-(2-aminopropylsulfinyl)propanamide?
The canonical SMILES for 2-(2-aminopropylsulfinyl)propanamide is CC(N)CS(=O)C(C)C(N)=O.
What is the InChIKey of 2-(2-aminopropylsulfinyl)propanamide?
The InChIKey is QRWMDUVVDCZICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-4(7)3-11(10)5(2)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9).
What are the key properties of 2-(2-aminopropylsulfinyl)propanamide?
2-(2-aminopropylsulfinyl)propanamide has a molecular weight of 178.26 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfinyl)propanamide is sourced from PubChem (CID 81188607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).