N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

C14H18ClN3OS — CID 119454255

IUPACN-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1cccn1Cc1cccs1
InChIInChI=1S/C14H17N3OS.ClH/c18-14(16-11-5-6-15-9-11)13-4-1-7-17(13)10-12-3-2-8-19-12;/h1-4,7-8,11,15H,5-6,9-10H2,(H,16,18);1H
InChIKeyPHBBHQPTQCEQEC-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.11
Rot. Bonds4

About N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119454255) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119454255
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1cccn1Cc1cccs1
InChIInChI=1S/C14H17N3OS.ClH/c18-14(16-11-5-6-15-9-11)13-4-1-7-17(13)10-12-3-2-8-19-12;/h1-4,7-8,11,15H,5-6,9-10H2,(H,16,18);1H
InChIKeyPHBBHQPTQCEQEC-UHFFFAOYSA-N
XLogP2.11
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366
N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71935632
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119449180
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119449181
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119617728
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
1-(thiophen-2-ylmethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 55959614
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
N-[(3R)-piperidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 113436690
N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55930290
N-piperidin-3-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119426390

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (CID 119454255) is N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1cccn1Cc1cccs1.
What is the InChIKey of N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is PHBBHQPTQCEQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c18-14(16-11-5-6-15-9-11)13-4-1-7-17(13)10-12-3-2-8-19-12;/h1-4,7-8,11,15H,5-6,9-10H2,(H,16,18);1H.
What are the key properties of N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119454255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).