(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol

C15H24N2OS — CID 18653691

IUPAC(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol
SMILESN[C@@H](CC1CCCCC1)[C@H](O)CSc1ccccn1
InChIInChI=1S/C15H24N2OS/c16-13(10-12-6-2-1-3-7-12)14(18)11-19-15-8-4-5-9-17-15/h4-5,8-9,12-14,18H,1-3,6-7,10-11,16H2/t13-,14+/m0/s1
InChIKeyUFYCNAQFQOIKIG-UONOGXRCSA-N
MW280.44 g/mol
LogP2.83
Rot. Bonds6

About (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol

(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol (PubChem CID 18653691) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol
PubChem CID18653691
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol
SMILESN[C@@H](CC1CCCCC1)[C@H](O)CSc1ccccn1
InChIInChI=1S/C15H24N2OS/c16-13(10-12-6-2-1-3-7-12)14(18)11-19-15-8-4-5-9-17-15/h4-5,8-9,12-14,18H,1-3,6-7,10-11,16H2/t13-,14+/m0/s1
InChIKeyUFYCNAQFQOIKIG-UONOGXRCSA-N
XLogP2.83
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol?
The IUPAC name of (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol (CID 18653691) is (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol is N[C@@H](CC1CCCCC1)[C@H](O)CSc1ccccn1.
What is the InChIKey of (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol?
The InChIKey is UFYCNAQFQOIKIG-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N2OS/c16-13(10-12-6-2-1-3-7-12)14(18)11-19-15-8-4-5-9-17-15/h4-5,8-9,12-14,18H,1-3,6-7,10-11,16H2/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol?
(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol has a molecular weight of 280.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol is sourced from PubChem (CID 18653691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).