N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

C15H20ClN3OS — CID 119617728

IUPACN-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccn1Cc1cccs1)C1CC1
InChIInChI=1S/C15H19N3OS.ClH/c16-9-13(11-5-6-11)17-15(19)14-4-1-7-18(14)10-12-3-2-8-20-12;/h1-4,7-8,11,13H,5-6,9-10,16H2,(H,17,19);1H
InChIKeyMWUNZEMPWASDIX-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.49
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119617728) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119617728
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccn1Cc1cccs1)C1CC1
InChIInChI=1S/C15H19N3OS.ClH/c16-9-13(11-5-6-11)17-15(19)14-4-1-7-18(14)10-12-3-2-8-20-12;/h1-4,7-8,11,13H,5-6,9-10,16H2,(H,17,19);1H
InChIKeyMWUNZEMPWASDIX-UHFFFAOYSA-N
XLogP2.49
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119668727
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
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-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71935632
(E)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]hex-4-enoic acid
CID 120693316
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 136518742

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (CID 119617728) is N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1cccn1Cc1cccs1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is MWUNZEMPWASDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c16-9-13(11-5-6-11)17-15(19)14-4-1-7-18(14)10-12-3-2-8-20-12;/h1-4,7-8,11,13H,5-6,9-10,16H2,(H,17,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119617728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).