(2R)-2-amino-4-methylsulfanylbutan-1-ol

C5H13NOS — CID 7000073

IUPAC(2R)-2-amino-4-methylsulfanylbutan-1-ol
SMILESCSCC[C@@H](N)CO
InChIInChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyMIQJGZAEWQQAPN-RXMQYKEDSA-N
MW135.23 g/mol
LogP0.06
Rot. Bonds4

About (2R)-2-amino-4-methylsulfanylbutan-1-ol

(2R)-2-amino-4-methylsulfanylbutan-1-ol (PubChem CID 7000073) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanylbutan-1-ol
PubChem CID7000073
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name(2R)-2-amino-4-methylsulfanylbutan-1-ol
SMILESCSCC[C@@H](N)CO
InChIInChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyMIQJGZAEWQQAPN-RXMQYKEDSA-N
XLogP0.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanylbutan-1-ol?
The IUPAC name of (2R)-2-amino-4-methylsulfanylbutan-1-ol (CID 7000073) is (2R)-2-amino-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-4-methylsulfanylbutan-1-ol is CSCC[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-4-methylsulfanylbutan-1-ol?
The InChIKey is MIQJGZAEWQQAPN-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanylbutan-1-ol?
(2R)-2-amino-4-methylsulfanylbutan-1-ol has a molecular weight of 135.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 7000073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).