N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride

C15H24ClN3O3S — CID 120944367

IUPACN-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-9(2)13(18-14(20)12-4-3-5-22-12)15(21)17-7-10-6-16-8-11(10)19;/h3-5,9-11,13,16,19H,6-8H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyWZLDMKVYRPONGC-UHFFFAOYSA-N
MW361.90 g/mol
LogP0.62
Rot. Bonds6

About N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride

N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120944367) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID120944367
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-9(2)13(18-14(20)12-4-3-5-22-12)15(21)17-7-10-6-16-8-11(10)19;/h3-5,9-11,13,16,19H,6-8H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyWZLDMKVYRPONGC-UHFFFAOYSA-N
XLogP0.62
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119513122
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
CID 95768963
4-fluoro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120943433
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 120944970
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 120944233
N-[4-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 120946017

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 120944367) is N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(C)C(NC(=O)c1cccs1)C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is WZLDMKVYRPONGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-9(2)13(18-14(20)12-4-3-5-22-12)15(21)17-7-10-6-16-8-11(10)19;/h3-5,9-11,13,16,19H,6-8H2,1-2H3,(H,17,21)(H,18,20);1H.
What are the key properties of N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120944367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).