3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine

C15H29NS — CID 114193134

IUPAC3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCCNC(CCC1CCCC1)C1CCSC1
InChIInChI=1S/C15H29NS/c1-2-10-16-15(14-9-11-17-12-14)8-7-13-5-3-4-6-13/h13-16H,2-12H2,1H3
InChIKeyRBPOGBWVVQUSTL-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.08
Rot. Bonds7

About 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine

3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine (PubChem CID 114193134) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
PubChem CID114193134
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
SMILESCCCNC(CCC1CCCC1)C1CCSC1
InChIInChI=1S/C15H29NS/c1-2-10-16-15(14-9-11-17-12-14)8-7-13-5-3-4-6-13/h13-16H,2-12H2,1H3
InChIKeyRBPOGBWVVQUSTL-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114192980
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
CID 105187409
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclopropyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79907331

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine (CID 114193134) is 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine is CCCNC(CCC1CCCC1)C1CCSC1.
What is the InChIKey of 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
The InChIKey is RBPOGBWVVQUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-2-10-16-15(14-9-11-17-12-14)8-7-13-5-3-4-6-13/h13-16H,2-12H2,1H3.
What are the key properties of 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine?
3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine has a molecular weight of 255.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 114193134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).