N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

C14H23N3O3S2 — CID 119726760

IUPACN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCNCC(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-11(10-15-2)14(18)17-7-5-12(6-8-17)16-22(19,20)13-4-3-9-21-13/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3
InChIKeyOVEDVUKXKOZEMN-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.87
Rot. Bonds6

About N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 119726760) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID119726760
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCNCC(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-11(10-15-2)14(18)17-7-5-12(6-8-17)16-22(19,20)13-4-3-9-21-13/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3
InChIKeyOVEDVUKXKOZEMN-UHFFFAOYSA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55479196
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119544649
N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 46604032
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 41200370

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 119726760) is N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is CNCC(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is OVEDVUKXKOZEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-11(10-15-2)14(18)17-7-5-12(6-8-17)16-22(19,20)13-4-3-9-21-13/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3.
What are the key properties of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 345.49 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119726760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).