[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

C17H27N3O3S2 — CID 134033896

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESCC(C)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H27N3O3S2/c1-14(2)13-18-8-10-19(11-9-18)17(21)16-15(5-12-24-16)25(22,23)20-6-3-4-7-20/h5,12,14H,3-4,6-11,13H2,1-2H3
InChIKeyDLPGGSZCVLMWPM-UHFFFAOYSA-N
MW385.56 g/mol
LogP1.95
Rot. Bonds5

About [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone (PubChem CID 134033896) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
PubChem CID134033896
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESCC(C)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H27N3O3S2/c1-14(2)13-18-8-10-19(11-9-18)17(21)16-15(5-12-24-16)25(22,23)20-6-3-4-7-20/h5,12,14H,3-4,6-11,13H2,1-2H3
InChIKeyDLPGGSZCVLMWPM-UHFFFAOYSA-N
XLogP1.95
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
2,2-dimethyl-1-[4-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55588563
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 37209168
N,N-diethyl-2-[4-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55603050
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55463965
1,4-diazepan-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414812
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 49073387
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone (CID 134033896) is [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone is CC(C)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The InChIKey is DLPGGSZCVLMWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-14(2)13-18-8-10-19(11-9-18)17(21)16-15(5-12-24-16)25(22,23)20-6-3-4-7-20/h5,12,14H,3-4,6-11,13H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone has a molecular weight of 385.56 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 134033896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).