1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

C14H22ClN3O2S2 — CID 120902495

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCNC1
InChIInChI=1S/C14H22ClN3O2S2/c1-14(4-5-16-10-14)11-17-6-8-18(9-7-17)22(19,20)13-3-2-12(15)21-13/h2-3,16H,4-11H2,1H3
InChIKeyNGEVGIHVDZEYES-UHFFFAOYSA-N
MW363.94 g/mol
LogP1.71
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 120902495) has the molecular formula C14H22ClN3O2S2 and a molecular weight of 363.94 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID120902495
Molecular FormulaC14H22ClN3O2S2
Molecular Weight363.94 g/mol
Exact Mass363.08
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCNC1
InChIInChI=1S/C14H22ClN3O2S2/c1-14(4-5-16-10-14)11-17-6-8-18(9-7-17)22(19,20)13-3-2-12(15)21-13/h2-3,16H,4-11H2,1H3
InChIKeyNGEVGIHVDZEYES-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.94
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (CID 120902495) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is CC1(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCNC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is NGEVGIHVDZEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S2/c1-14(4-5-16-10-14)11-17-6-8-18(9-7-17)22(19,20)13-3-2-12(15)21-13/h2-3,16H,4-11H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 363.94 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 120902495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).