(2S)-2-amino-5-phenylpentane-1-thiol

C11H17NS — CID 87877101

IUPAC(2S)-2-amino-5-phenylpentane-1-thiol
SMILESN[C@H](CS)CCCc1ccccc1
InChIInChI=1S/C11H17NS/c12-11(9-13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9,12H2/t11-/m0/s1
InChIKeyWKDNDAZOXQKREZ-NSHDSACASA-N
MW195.33 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-amino-5-phenylpentane-1-thiol

(2S)-2-amino-5-phenylpentane-1-thiol (PubChem CID 87877101) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2S)-2-amino-5-phenylpentane-1-thiol.

Molecular Properties

Compound Name(2S)-2-amino-5-phenylpentane-1-thiol
PubChem CID87877101
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2S)-2-amino-5-phenylpentane-1-thiol
SMILESN[C@H](CS)CCCc1ccccc1
InChIInChI=1S/C11H17NS/c12-11(9-13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9,12H2/t11-/m0/s1
InChIKeyWKDNDAZOXQKREZ-NSHDSACASA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-phenylheptane-1,4-diamine
CID 174860311
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1-phenyloctan-4-amine
CID 79413314
4-phenylbutylbenzene
CID 141301927
5-phenyl-1-phenylsulfanylpentan-2-amine
CID 65141833
6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-cyclopropyl-6-phenylhexan-3-amine
CID 105157718
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
6-phenylhexane-1,4-diamine
CID 23163544
1-dimethoxysilyl-5-phenylpentan-2-amine
CID 174935526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-phenylpentane-1-thiol?
The IUPAC name of (2S)-2-amino-5-phenylpentane-1-thiol (CID 87877101) is (2S)-2-amino-5-phenylpentane-1-thiol.
What is the SMILES notation for (2S)-2-amino-5-phenylpentane-1-thiol?
The canonical SMILES for (2S)-2-amino-5-phenylpentane-1-thiol is N[C@H](CS)CCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-5-phenylpentane-1-thiol?
The InChIKey is WKDNDAZOXQKREZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NS/c12-11(9-13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9,12H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-5-phenylpentane-1-thiol?
(2S)-2-amino-5-phenylpentane-1-thiol has a molecular weight of 195.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-phenylpentane-1-thiol is sourced from PubChem (CID 87877101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).