2-amino-1-cyclopentylethanethiol

C7H15NS — CID 116868701

IUPAC2-amino-1-cyclopentylethanethiol
SMILESNCC(S)C1CCCC1
InChIInChI=1S/C7H15NS/c8-5-7(9)6-3-1-2-4-6/h6-7,9H,1-5,8H2
InChIKeyAVLKGUFEECKNDR-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.43
Rot. Bonds2

About 2-amino-1-cyclopentylethanethiol

2-amino-1-cyclopentylethanethiol (PubChem CID 116868701) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-amino-1-cyclopentylethanethiol.

Molecular Properties

Compound Name2-amino-1-cyclopentylethanethiol
PubChem CID116868701
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-amino-1-cyclopentylethanethiol
SMILESNCC(S)C1CCCC1
InChIInChI=1S/C7H15NS/c8-5-7(9)6-3-1-2-4-6/h6-7,9H,1-5,8H2
InChIKeyAVLKGUFEECKNDR-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.43
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

2-amino-1-cyclopropylethanethiol
CID 146531669
2-amino-1-(oxan-4-yl)ethanethiol
CID 116868702
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
2-cyclopentyl-3,3-difluoropropan-1-amine
CID 84716916
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2-cyclopentyl-2-iodoethanamine
CID 134195934
methyl 3-(2-amino-1-sulfanylethyl)cyclohexane-1-carboxylate
CID 58761583
2-cyclopentyl-2-ethylsulfanylethanamine
CID 82931270
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
2-cycloheptyl-2-cyclohexylsulfanylethanamine
CID 82931571
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
1-cyclopentyl-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65385449

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopentylethanethiol?
The IUPAC name of 2-amino-1-cyclopentylethanethiol (CID 116868701) is 2-amino-1-cyclopentylethanethiol.
What is the SMILES notation for 2-amino-1-cyclopentylethanethiol?
The canonical SMILES for 2-amino-1-cyclopentylethanethiol is NCC(S)C1CCCC1.
What is the InChIKey of 2-amino-1-cyclopentylethanethiol?
The InChIKey is AVLKGUFEECKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c8-5-7(9)6-3-1-2-4-6/h6-7,9H,1-5,8H2.
What are the key properties of 2-amino-1-cyclopentylethanethiol?
2-amino-1-cyclopentylethanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopentylethanethiol is sourced from PubChem (CID 116868701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).