5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide

C13H19ClN2O3S2 — CID 128586351

IUPAC5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CC3CCC(C2)O3)sc1Cl
InChIInChI=1S/C13H19ClN2O3S2/c1-9-6-12(20-13(9)14)21(17,18)15-4-5-16-7-10-2-3-11(8-16)19-10/h6,10-11,15H,2-5,7-8H2,1H3
InChIKeyATHJBGSNDCHENQ-UHFFFAOYSA-N
MW350.89 g/mol
LogP1.85
Rot. Bonds5

About 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide

5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 128586351) has the molecular formula C13H19ClN2O3S2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID128586351
Molecular FormulaC13H19ClN2O3S2
Molecular Weight350.89 g/mol
Exact Mass350.05
IUPAC Name5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CC3CCC(C2)O3)sc1Cl
InChIInChI=1S/C13H19ClN2O3S2/c1-9-6-12(20-13(9)14)21(17,18)15-4-5-16-7-10-2-3-11(8-16)19-10/h6,10-11,15H,2-5,7-8H2,1H3
InChIKeyATHJBGSNDCHENQ-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
5-chloro-N-cyclohexyl-4-methylthiophene-2-sulfonamide
CID 103099871

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide (CID 128586351) is 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCN2CC3CCC(C2)O3)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ATHJBGSNDCHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S2/c1-9-6-12(20-13(9)14)21(17,18)15-4-5-16-7-10-2-3-11(8-16)19-10/h6,10-11,15H,2-5,7-8H2,1H3.
What are the key properties of 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 350.89 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 128586351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).