2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol

C14H21NOS — CID 82499370

IUPAC2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
SMILESCC(N)C(O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-10(15)14(16)11-6-8-13(9-7-11)17-12-4-2-3-5-12/h6-10,12,14,16H,2-5,15H2,1H3
InChIKeyACCJWICXWILZJJ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol

2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol (PubChem CID 82499370) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
PubChem CID82499370
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
SMILESCC(N)C(O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H21NOS/c1-10(15)14(16)11-6-8-13(9-7-11)17-12-4-2-3-5-12/h6-10,12,14,16H,2-5,15H2,1H3
InChIKeyACCJWICXWILZJJ-UHFFFAOYSA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol (CID 82499370) is 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol is CC(N)C(O)c1ccc(SC2CCCC2)cc1.
What is the InChIKey of 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol?
The InChIKey is ACCJWICXWILZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(15)14(16)11-6-8-13(9-7-11)17-12-4-2-3-5-12/h6-10,12,14,16H,2-5,15H2,1H3.
What are the key properties of 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol?
2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol has a molecular weight of 251.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 82499370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).