N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide

C13H18N2OS — CID 63006718

IUPACN-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CCNC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H18N2OS/c16-13(11-3-5-14-7-11)15(12-1-2-12)8-10-4-6-17-9-10/h4,6,9,11-12,14H,1-3,5,7-8H2
InChIKeyMRNTVAOXKWTWCH-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.85
Rot. Bonds4

About N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide

N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 63006718) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID63006718
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CCNC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H18N2OS/c16-13(11-3-5-14-7-11)15(12-1-2-12)8-10-4-6-17-9-10/h4,6,9,11-12,14H,1-3,5,7-8H2
InChIKeyMRNTVAOXKWTWCH-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide 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

N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61214082

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide (CID 63006718) is N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(C1CCNC1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is MRNTVAOXKWTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(11-3-5-14-7-11)15(12-1-2-12)8-10-4-6-17-9-10/h4,6,9,11-12,14H,1-3,5,7-8H2.
What are the key properties of N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).