[1-(aminomethyl)cyclopentyl]methanethiol

C7H15NS — CID 83678920

IUPAC[1-(aminomethyl)cyclopentyl]methanethiol
SMILESNCC1(CS)CCCC1
InChIInChI=1S/C7H15NS/c8-5-7(6-9)3-1-2-4-7/h9H,1-6,8H2
InChIKeyVFEMUQSOCAFVPM-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds2

About [1-(aminomethyl)cyclopentyl]methanethiol

[1-(aminomethyl)cyclopentyl]methanethiol (PubChem CID 83678920) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]methanethiol
PubChem CID83678920
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name[1-(aminomethyl)cyclopentyl]methanethiol
SMILESNCC1(CS)CCCC1
InChIInChI=1S/C7H15NS/c8-5-7(6-9)3-1-2-4-7/h9H,1-6,8H2
InChIKeyVFEMUQSOCAFVPM-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
(1-ethylcyclooctyl)methanamine
CID 80604065
[1-(fluoromethyl)cyclopentyl]methanamine;hydrochloride
CID 105433644
[1-(chloromethyl)cyclohexyl]methanamine
CID 55255403
[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
CID 91072791
[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
CID 130548652
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanamine
CID 105439345
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine
CID 130514671
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
1-[1-(aminomethyl)cyclopentyl]propan-2-ol
CID 130514677

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]methanethiol (CID 83678920) is [1-(aminomethyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]methanethiol is NCC1(CS)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]methanethiol?
The InChIKey is VFEMUQSOCAFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c8-5-7(6-9)3-1-2-4-7/h9H,1-6,8H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]methanethiol?
[1-(aminomethyl)cyclopentyl]methanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]methanethiol is sourced from PubChem (CID 83678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).