5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide

C13H21ClN2O2S2 — CID 75450241

IUPAC5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-10(11-6-8-15(2)9-7-11)16(3)20(17,18)13-5-4-12(14)19-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyANCMYQNUTQRCAU-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 75450241) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID75450241
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC Name5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-10(11-6-8-15(2)9-7-11)16(3)20(17,18)13-5-4-12(14)19-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyANCMYQNUTQRCAU-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide (CID 75450241) is 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide is CC(C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ANCMYQNUTQRCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S2/c1-10(11-6-8-15(2)9-7-11)16(3)20(17,18)13-5-4-12(14)19-13/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 336.91 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 75450241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).