2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide

C7H16N2O2S — CID 66139088

IUPAC2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
SMILESCC(CCO)SCC(N)C(N)=O
InChIInChI=1S/C7H16N2O2S/c1-5(2-3-10)12-4-6(8)7(9)11/h5-6,10H,2-4,8H2,1H3,(H2,9,11)
InChIKeyBPSWNJFBYQSMGH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.70
Rot. Bonds6

About 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide

2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide (PubChem CID 66139088) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
PubChem CID66139088
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
SMILESCC(CCO)SCC(N)C(N)=O
InChIInChI=1S/C7H16N2O2S/c1-5(2-3-10)12-4-6(8)7(9)11/h5-6,10H,2-4,8H2,1H3,(H2,9,11)
InChIKeyBPSWNJFBYQSMGH-UHFFFAOYSA-N
XLogP-0.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide (CID 66139088) is 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide is CC(CCO)SCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide?
The InChIKey is BPSWNJFBYQSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-5(2-3-10)12-4-6(8)7(9)11/h5-6,10H,2-4,8H2,1H3,(H2,9,11).
What are the key properties of 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide?
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide has a molecular weight of 192.28 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide is sourced from PubChem (CID 66139088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).