N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

C15H25N3O3S2 — CID 119581611

IUPACN-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C(C)CN)s2)CC1
InChIInChI=1S/C15H25N3O3S2/c1-11-6-8-18(9-7-11)23(20,21)14-5-4-13(22-14)15(19)17(3)12(2)10-16/h4-5,11-12H,6-10,16H2,1-3H3
InChIKeyQTHXUYOVNRKVQO-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.59
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 119581611) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID119581611
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C(C)CN)s2)CC1
InChIInChI=1S/C15H25N3O3S2/c1-11-6-8-18(9-7-11)23(20,21)14-5-4-13(22-14)15(19)17(3)12(2)10-16/h4-5,11-12H,6-10,16H2,1-3H3
InChIKeyQTHXUYOVNRKVQO-UHFFFAOYSA-N
XLogP1.59
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 120506435
N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 120506434
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 119652797
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119631204
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 120656340
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119409564
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone;hydrochloride
CID 119409563
N-[(2-chlorophenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 53066269
2-[5-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 63624288
5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449859
5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119533771

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 119581611) is N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C(C)CN)s2)CC1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is QTHXUYOVNRKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-11-6-8-18(9-7-11)23(20,21)14-5-4-13(22-14)15(19)17(3)12(2)10-16/h4-5,11-12H,6-10,16H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 119581611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).