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

C14H20ClN3OS — CID 119499620

IUPACN-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccn1Cc1cccs1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-11(15)6-7-16-14(18)13-5-2-8-17(13)10-12-4-3-9-19-12;/h2-5,8-9,11H,6-7,10,15H2,1H3,(H,16,18);1H
InChIKeyGLDMFGQCDQWWDC-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.49
Rot. Bonds6

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

N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119499620) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119499620
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC NameN-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccn1Cc1cccs1.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-11(15)6-7-16-14(18)13-5-2-8-17(13)10-12-4-3-9-19-12;/h2-5,8-9,11H,6-7,10,15H2,1H3,(H,16,18);1H
InChIKeyGLDMFGQCDQWWDC-UHFFFAOYSA-N
XLogP2.49
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119449180
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119449181
N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119668727
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 97194203
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119617728
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119390366

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (CID 119499620) is N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cccn1Cc1cccs1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is GLDMFGQCDQWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.ClH/c1-11(15)6-7-16-14(18)13-5-2-8-17(13)10-12-4-3-9-19-12;/h2-5,8-9,11H,6-7,10,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 313.85 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-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119499620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).