N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide

C13H22N2O2S2 — CID 107173135

IUPACN-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCCNCC2)c(C)s1
InChIInChI=1S/C13H22N2O2S2/c1-10-9-13(11(2)18-10)19(16,17)15(3)12-5-4-7-14-8-6-12/h9,12,14H,4-8H2,1-3H3
InChIKeyMJACAQWSXGZREH-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.13
Rot. Bonds3

About N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide

N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide (PubChem CID 107173135) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
PubChem CID107173135
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC NameN-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCCNCC2)c(C)s1
InChIInChI=1S/C13H22N2O2S2/c1-10-9-13(11(2)18-10)19(16,17)15(3)12-5-4-7-14-8-6-12/h9,12,14H,4-8H2,1-3H3
InChIKeyMJACAQWSXGZREH-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
N-(azepan-4-yl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 107172940
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 120999726
N-(azetidin-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 66181491
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide?
The IUPAC name of N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide (CID 107173135) is N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)C2CCCNCC2)c(C)s1.
What is the InChIKey of N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide?
The InChIKey is MJACAQWSXGZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-10-9-13(11(2)18-10)19(16,17)15(3)12-5-4-7-14-8-6-12/h9,12,14H,4-8H2,1-3H3.
What are the key properties of N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide?
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide has a molecular weight of 302.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide is sourced from PubChem (CID 107173135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).