(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone

C14H21N3O3S2 — CID 119576574

IUPAC(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C14H21N3O3S2/c1-11-10-16(8-6-15-11)14(18)12-4-2-7-17(12)22(19,20)13-5-3-9-21-13/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3
InChIKeyIHDYECIJVNFGJZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP0.72
Rot. Bonds3

About (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone

(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 119576574) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
PubChem CID119576574
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC Name(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C14H21N3O3S2/c1-11-10-16(8-6-15-11)14(18)12-4-2-7-17(12)22(19,20)13-5-3-9-21-13/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3
InChIKeyIHDYECIJVNFGJZ-UHFFFAOYSA-N
XLogP0.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone;hydrochloride
CID 119483565
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 119517026
(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119576927
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 41398010
N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone (CID 119576574) is (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone is CC1CN(C(=O)C2CCCN2S(=O)(=O)c2cccs2)CCN1.
What is the InChIKey of (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is IHDYECIJVNFGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-11-10-16(8-6-15-11)14(18)12-4-2-7-17(12)22(19,20)13-5-3-9-21-13/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3.
What are the key properties of (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 119576574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).