3-cyclopentyl-3-(methylamino)propane-1-thiol

C9H19NS — CID 116831478

IUPAC3-cyclopentyl-3-(methylamino)propane-1-thiol
SMILESCNC(CCS)C1CCCC1
InChIInChI=1S/C9H19NS/c1-10-9(6-7-11)8-4-2-3-5-8/h8-11H,2-7H2,1H3
InChIKeyGGRVMSNQLXOSBE-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds4

About 3-cyclopentyl-3-(methylamino)propane-1-thiol

3-cyclopentyl-3-(methylamino)propane-1-thiol (PubChem CID 116831478) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-cyclopentyl-3-(methylamino)propane-1-thiol.

Molecular Properties

Compound Name3-cyclopentyl-3-(methylamino)propane-1-thiol
PubChem CID116831478
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-cyclopentyl-3-(methylamino)propane-1-thiol
SMILESCNC(CCS)C1CCCC1
InChIInChI=1S/C9H19NS/c1-10-9(6-7-11)8-4-2-3-5-8/h8-11H,2-7H2,1H3
InChIKeyGGRVMSNQLXOSBE-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
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

3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116831489
1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
CID 115346257
4-cyclobutyl-4-(methylamino)butan-1-ol
CID 116953044
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol
CID 143031669

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(methylamino)propane-1-thiol?
The IUPAC name of 3-cyclopentyl-3-(methylamino)propane-1-thiol (CID 116831478) is 3-cyclopentyl-3-(methylamino)propane-1-thiol.
What is the SMILES notation for 3-cyclopentyl-3-(methylamino)propane-1-thiol?
The canonical SMILES for 3-cyclopentyl-3-(methylamino)propane-1-thiol is CNC(CCS)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-(methylamino)propane-1-thiol?
The InChIKey is GGRVMSNQLXOSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-10-9(6-7-11)8-4-2-3-5-8/h8-11H,2-7H2,1H3.
What are the key properties of 3-cyclopentyl-3-(methylamino)propane-1-thiol?
3-cyclopentyl-3-(methylamino)propane-1-thiol has a molecular weight of 173.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(methylamino)propane-1-thiol is sourced from PubChem (CID 116831478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).