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

C16H24ClN3OS — CID 119668727

IUPACN-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccn1Cc1cccs1.Cl
InChIInChI=1S/C16H23N3OS.ClH/c1-2-3-6-13(11-17)18-16(20)15-8-4-9-19(15)12-14-7-5-10-21-14;/h4-5,7-10,13H,2-3,6,11-12,17H2,1H3,(H,18,20);1H
InChIKeyZYEGCVHPSNTVKI-UHFFFAOYSA-N
MW341.91 g/mol
LogP3.27
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119668727) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119668727
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC NameN-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccn1Cc1cccs1.Cl
InChIInChI=1S/C16H23N3OS.ClH/c1-2-3-6-13(11-17)18-16(20)15-8-4-9-19(15)12-14-7-5-10-21-14;/h4-5,7-10,13H,2-3,6,11-12,17H2,1H3,(H,18,20);1H
InChIKeyZYEGCVHPSNTVKI-UHFFFAOYSA-N
XLogP3.27
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119617728
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
(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-(1-aminohexan-2-yl)-2-methyl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119667782
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 97194203
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (CID 119668727) is N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1cccn1Cc1cccs1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is ZYEGCVHPSNTVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS.ClH/c1-2-3-6-13(11-17)18-16(20)15-8-4-9-19(15)12-14-7-5-10-21-14;/h4-5,7-10,13H,2-3,6,11-12,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119668727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).