(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine

C15H24N2S — CID 71503885

IUPAC(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
SMILESN[C@H](CCN1CCCCC1)CSc1ccccc1
InChIInChI=1S/C15H24N2S/c16-14(9-12-17-10-5-2-6-11-17)13-18-15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13,16H2/t14-/m1/s1
InChIKeyYPIDRCABFZJVPH-CQSZACIVSA-N
MW264.44 g/mol
LogP2.98
Rot. Bonds6

About (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine

(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine (PubChem CID 71503885) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
PubChem CID71503885
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
SMILESN[C@H](CCN1CCCCC1)CSc1ccccc1
InChIInChI=1S/C15H24N2S/c16-14(9-12-17-10-5-2-6-11-17)13-18-15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13,16H2/t14-/m1/s1
InChIKeyYPIDRCABFZJVPH-CQSZACIVSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-amino-4-phenylsulfanylbutyl]azetidin-3-ol
CID 71503886
4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-phenylsulfanylbutan-2-amine
CID 130244453
(2R,3R)-2,3-dihydroxybutanedioic acid;4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine
CID 175839759
1-[(3R)-3-amino-4-phenylsulfanylbutyl]-N-methylsulfonylpiperidine-4-carboxamide
CID 67069523
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
(2R)-4-[(2S)-2,5-dimethylpyrrolidin-1-yl]-1-phenylsulfanylbutan-2-amine
CID 67251233
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
1-(3-phenylsulfanylbutyl)piperidine
CID 21391076
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
5-phenyl-1-phenylsulfanylpentan-2-amine
CID 65141833

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine?
The IUPAC name of (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine (CID 71503885) is (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine?
The canonical SMILES for (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine is N[C@H](CCN1CCCCC1)CSc1ccccc1.
What is the InChIKey of (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine?
The InChIKey is YPIDRCABFZJVPH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2S/c16-14(9-12-17-10-5-2-6-11-17)13-18-15-7-3-1-4-8-15/h1,3-4,7-8,14H,2,5-6,9-13,16H2/t14-/m1/s1.
What are the key properties of (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine?
(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 71503885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).