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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Related Compounds

5-Chloro-2-[(4-methylpiperidyl)sulfonyl]thiophene
CID 5093213
1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
CID 778335
2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-(5-Chloro-thiophene-2-sulfonyl)-3-methyl-piperidine
CID 2942730
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((5-chloro-2-thienyl)sulfonyl)-9,9-dimethyl-
CID 3078261
5-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]thiophene-2-sulfonamide
CID 4082154
1-(5-Chlorothiophen-2-yl)sulfonyl-4-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 53194234
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-4-(2-methylpropyl)piperazine
CID 78797712
5-chloro-N-methyl-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]thiophene-2-sulfonamide
CID 97261474
4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide;hydrochloride
CID 10128317
4,5-dichloro-N-methyl-N-[(1R,3S)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide
CID 10128318
4,5-dichloro-N-methyl-N-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]thiophene-2-sulfonamide
CID 69422762

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).