N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

C12H19N3O3S2 — CID 47097552

IUPACN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-14-6-8-15(9-7-14)11(16)4-5-13-20(17,18)12-3-2-10-19-12/h2-3,10,13H,4-9H2,1H3
InChIKeyUCSDAHDFCMZAPQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.19
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 47097552) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID47097552
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H19N3O3S2/c1-14-6-8-15(9-7-14)11(16)4-5-13-20(17,18)12-3-2-10-19-12/h2-3,10,13H,4-9H2,1H3
InChIKeyUCSDAHDFCMZAPQ-UHFFFAOYSA-N
XLogP0.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9334371
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9415284
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 15995654
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide
CID 78851118
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 4053515
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (CID 47097552) is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is CN1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is UCSDAHDFCMZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-14-6-8-15(9-7-14)11(16)4-5-13-20(17,18)12-3-2-10-19-12/h2-3,10,13H,4-9H2,1H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47097552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).