4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide

C12H18ClN3O3S2 — CID 17410559

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H18ClN3O3S2/c1-2-5-14-12(17)15-6-8-16(9-7-15)21(18,19)11-4-3-10(13)20-11/h3-4H,2,5-9H2,1H3,(H,14,17)
InChIKeyJOMCSBWOJJEJKW-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.83
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide

4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide (PubChem CID 17410559) has the molecular formula C12H18ClN3O3S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide
PubChem CID17410559
Molecular FormulaC12H18ClN3O3S2
Molecular Weight351.88 g/mol
Exact Mass351.05
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H18ClN3O3S2/c1-2-5-14-12(17)15-6-8-16(9-7-15)21(18,19)11-4-3-10(13)20-11/h3-4H,2,5-9H2,1H3,(H,14,17)
InChIKeyJOMCSBWOJJEJKW-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide (CID 17410559) is 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide?
The InChIKey is JOMCSBWOJJEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S2/c1-2-5-14-12(17)15-6-8-16(9-7-15)21(18,19)11-4-3-10(13)20-11/h3-4H,2,5-9H2,1H3,(H,14,17).
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide?
4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 17410559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).