(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol

C16H19NOS2 — CID 54276659

IUPAC(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
SMILESN[C@@H](CSc1ccccc1)C(O)CSc1ccccc1
InChIInChI=1S/C16H19NOS2/c17-15(11-19-13-7-3-1-4-8-13)16(18)12-20-14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2/t15-,16?/m0/s1
InChIKeyRNWPJARWNFMEDC-VYRBHSGPSA-N
MW305.47 g/mol
LogP3.26
Rot. Bonds7

About (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol

(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol (PubChem CID 54276659) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
PubChem CID54276659
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Name(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
SMILESN[C@@H](CSc1ccccc1)C(O)CSc1ccccc1
InChIInChI=1S/C16H19NOS2/c17-15(11-19-13-7-3-1-4-8-13)16(18)12-20-14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2/t15-,16?/m0/s1
InChIKeyRNWPJARWNFMEDC-VYRBHSGPSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[bis(prop-2-enyl)amino]-4-phenylsulfanylbutan-2-ol
CID 68939396
3-amino-1-(3-aminophenyl)sulfanyl-4-phenylbutan-2-ol
CID 79133849
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
1-phenylsulfanylbutan-2-amine
CID 24973194
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
CID 11130512
benzyl 4-amino-2-chloro-3-hydroxy-5-phenylsulfanylpentanoate
CID 141069077
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
(2R)-1-phenylsulfanylbut-3-en-2-amine
CID 58800081

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol?
The IUPAC name of (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol (CID 54276659) is (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol.
What is the SMILES notation for (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol?
The canonical SMILES for (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol is N[C@@H](CSc1ccccc1)C(O)CSc1ccccc1.
What is the InChIKey of (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol?
The InChIKey is RNWPJARWNFMEDC-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H19NOS2/c17-15(11-19-13-7-3-1-4-8-13)16(18)12-20-14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2/t15-,16?/m0/s1.
What are the key properties of (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol?
(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol has a molecular weight of 305.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol is sourced from PubChem (CID 54276659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).