1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione

C13H23NS — CID 18316049

IUPAC1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione
SMILESCC(=S)CC1(NC2CCCC2)CCCC1
InChIInChI=1S/C13H23NS/c1-11(15)10-13(8-4-5-9-13)14-12-6-2-3-7-12/h12,14H,2-10H2,1H3
InChIKeyLSRVIYXFCCSNRH-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.61
Rot. Bonds4

About 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione

1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione (PubChem CID 18316049) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione.

Molecular Properties

Compound Name1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione
PubChem CID18316049
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione
SMILESCC(=S)CC1(NC2CCCC2)CCCC1
InChIInChI=1S/C13H23NS/c1-11(15)10-13(8-4-5-9-13)14-12-6-2-3-7-12/h12,14H,2-10H2,1H3
InChIKeyLSRVIYXFCCSNRH-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
N-[1-(chloromethyl)cyclopentyl]cycloheptanamine
CID 82937078
[1-(cyclopentylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450338
[1-(cyclohexylamino)-3,4-dimethylcyclohexyl]methanol
CID 64745681
3-(aminomethyl)-N-cyclohexylpiperidin-3-amine
CID 105465481
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
[1-(piperidin-4-ylamino)cyclohexyl]methanol
CID 62521858
1-(aminomethyl)-N-cyclohexyl-2,2-dimethylcyclohexan-1-amine
CID 79847390
1-(aminomethyl)-N-cyclopentyl-3,3-dimethylcyclopentan-1-amine
CID 80706363
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione?
The IUPAC name of 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione (CID 18316049) is 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione.
What is the SMILES notation for 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione?
The canonical SMILES for 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione is CC(=S)CC1(NC2CCCC2)CCCC1.
What is the InChIKey of 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione?
The InChIKey is LSRVIYXFCCSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-11(15)10-13(8-4-5-9-13)14-12-6-2-3-7-12/h12,14H,2-10H2,1H3.
What are the key properties of 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione?
1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione has a molecular weight of 225.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylamino)cyclopentyl]propane-2-thione is sourced from PubChem (CID 18316049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).