2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione

C13H24N2S — CID 176601035

IUPAC2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
SMILESCC(C)N(CC1NCCC1=S)C1CCCC1
InChIInChI=1S/C13H24N2S/c1-10(2)15(11-5-3-4-6-11)9-12-13(16)7-8-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeySCLQSOGFOZOFKN-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.37
Rot. Bonds4

About 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione

2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione (PubChem CID 176601035) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione.

Molecular Properties

Compound Name2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
PubChem CID176601035
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
SMILESCC(C)N(CC1NCCC1=S)C1CCCC1
InChIInChI=1S/C13H24N2S/c1-10(2)15(11-5-3-4-6-11)9-12-13(16)7-8-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeySCLQSOGFOZOFKN-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601985
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
CID 176601714
2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
CID 168883162
2-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601014
2-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601955
2-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidine-3-thione
CID 168883286
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013
N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
CID 176601289
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
The IUPAC name of 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione (CID 176601035) is 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione.
What is the SMILES notation for 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
The canonical SMILES for 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione is CC(C)N(CC1NCCC1=S)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
The InChIKey is SCLQSOGFOZOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(2)15(11-5-3-4-6-11)9-12-13(16)7-8-14-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione?
2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione has a molecular weight of 240.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione is sourced from PubChem (CID 176601035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).