(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid

C5H11NO3S — CID 21082266

IUPAC(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid
SMILESCSCC(CO)NC(=O)O
InChIInChI=1S/C5H11NO3S/c1-10-3-4(2-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyDSTUTOYIOZFIGK-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.02
Rot. Bonds4

About (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid

(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid (PubChem CID 21082266) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid
PubChem CID21082266
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid
SMILESCSCC(CO)NC(=O)O
InChIInChI=1S/C5H11NO3S/c1-10-3-4(2-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyDSTUTOYIOZFIGK-UHFFFAOYSA-N
XLogP-0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid?
The IUPAC name of (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid (CID 21082266) is (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid.
What is the SMILES notation for (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid?
The canonical SMILES for (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid is CSCC(CO)NC(=O)O.
What is the InChIKey of (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid?
The InChIKey is DSTUTOYIOZFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10-3-4(2-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid?
(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid has a molecular weight of 165.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methylsulfanylpropan-2-yl)carbamic acid is sourced from PubChem (CID 21082266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).