N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine

C13H19NS — CID 114749047

IUPACN-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine
SMILESc1scc(C2CCCC2)c1CNC1CC1
InChIInChI=1S/C13H19NS/c1-2-4-10(3-1)13-9-15-8-11(13)7-14-12-5-6-12/h8-10,12,14H,1-7H2
InChIKeyZNRXJCDDXQULCB-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.66
Rot. Bonds4

About N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine

N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine (PubChem CID 114749047) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine
PubChem CID114749047
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine
SMILESc1scc(C2CCCC2)c1CNC1CC1
InChIInChI=1S/C13H19NS/c1-2-4-10(3-1)13-9-15-8-11(13)7-14-12-5-6-12/h8-10,12,14H,1-7H2
InChIKeyZNRXJCDDXQULCB-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dicyclopentylthiophene
CID 21200052
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
CID 79803205
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
3-[(cyclopropylamino)methyl]-1-benzothiophen-5-ol
CID 117174646
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 80611809
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
CID 107961487
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
CID 117170816
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine (CID 114749047) is N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine is c1scc(C2CCCC2)c1CNC1CC1.
What is the InChIKey of N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine?
The InChIKey is ZNRXJCDDXQULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-4-10(3-1)13-9-15-8-11(13)7-14-12-5-6-12/h8-10,12,14H,1-7H2.
What are the key properties of N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine?
N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine has a molecular weight of 221.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentylthiophen-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114749047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).