N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride

C15H24ClN3O2S — CID 119513122

IUPACN-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-10(2)13(18-14(19)12-6-4-8-21-12)15(20)17-9-11-5-3-7-16-11;/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyGBFUNLFZGMGHSP-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.79
Rot. Bonds6

About N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride

N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119513122) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119513122
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-10(2)13(18-14(19)12-6-4-8-21-12)15(20)17-9-11-5-3-7-16-11;/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyGBFUNLFZGMGHSP-UHFFFAOYSA-N
XLogP1.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
CID 95768963
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120944367
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119513287
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119513122) is N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(C)C(NC(=O)c1cccs1)C(=O)NCC1CCCN1.Cl.
What is the InChIKey of N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is GBFUNLFZGMGHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-10(2)13(18-14(19)12-6-4-8-21-12)15(20)17-9-11-5-3-7-16-11;/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119513122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).