(2S)-2-amino-4-phenylsulfanylbutan-1-ol

C10H15NOS — CID 57263408

IUPAC(2S)-2-amino-4-phenylsulfanylbutan-1-ol
SMILESN[C@H](CO)CCSc1ccccc1
InChIInChI=1S/C10H15NOS/c11-9(8-12)6-7-13-10-4-2-1-3-5-10/h1-5,9,12H,6-8,11H2/t9-/m0/s1
InChIKeyLFENEUDACXCETG-VIFPVBQESA-N
MW197.30 g/mol
LogP1.49
Rot. Bonds5

About (2S)-2-amino-4-phenylsulfanylbutan-1-ol

(2S)-2-amino-4-phenylsulfanylbutan-1-ol (PubChem CID 57263408) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2S)-2-amino-4-phenylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-phenylsulfanylbutan-1-ol
PubChem CID57263408
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2S)-2-amino-4-phenylsulfanylbutan-1-ol
SMILESN[C@H](CO)CCSc1ccccc1
InChIInChI=1S/C10H15NOS/c11-9(8-12)6-7-13-10-4-2-1-3-5-10/h1-5,9,12H,6-8,11H2/t9-/m0/s1
InChIKeyLFENEUDACXCETG-VIFPVBQESA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
CID 70048695
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64819222
1-phenyl-3-phenylsulfanylpropan-1-amine
CID 132891646
2-amino-4-phenylsulfanylbutanamide
CID 63033398
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
1-(3-chlorophenyl)-4-phenylsulfanylbutan-2-amine
CID 79223389
2-amino-4-phenylbutan-1-ol
CID 159249603
2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol
CID 79455210
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
2-amino-3-naphthalen-2-ylsulfanylpropan-1-ol
CID 64807456
2-amino-4-[(3-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821539
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenylsulfanylbutan-1-ol?
The IUPAC name of (2S)-2-amino-4-phenylsulfanylbutan-1-ol (CID 57263408) is (2S)-2-amino-4-phenylsulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-phenylsulfanylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-4-phenylsulfanylbutan-1-ol is N[C@H](CO)CCSc1ccccc1.
What is the InChIKey of (2S)-2-amino-4-phenylsulfanylbutan-1-ol?
The InChIKey is LFENEUDACXCETG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NOS/c11-9(8-12)6-7-13-10-4-2-1-3-5-10/h1-5,9,12H,6-8,11H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenylsulfanylbutan-1-ol?
(2S)-2-amino-4-phenylsulfanylbutan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenylsulfanylbutan-1-ol is sourced from PubChem (CID 57263408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).