N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide

C14H18N2O6S4 — CID 130358396

IUPACN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H18N2O6S4/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14/h2-7,16H,8-10,15H2,1H3
InChIKeyHZMUOEJFTHADGQ-UHFFFAOYSA-N
MW438.57 g/mol
LogP0.36
Rot. Bonds8

About N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide (PubChem CID 130358396) has the molecular formula C14H18N2O6S4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
PubChem CID130358396
Molecular FormulaC14H18N2O6S4
Molecular Weight438.57 g/mol
Exact Mass438.00
IUPAC NameN-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H18N2O6S4/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14/h2-7,16H,8-10,15H2,1H3
InChIKeyHZMUOEJFTHADGQ-UHFFFAOYSA-N
XLogP0.36
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 158924198
[5-(benzenesulfonyl)thiophen-2-yl]methanamine
CID 130358016
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
CID 130358284
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344906
N-[5-(aminomethyl)thiophen-2-yl]methanesulfonamide
CID 82507164
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344905
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide (CID 130358396) is N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide is CS(=O)(=O)NCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide?
The InChIKey is HZMUOEJFTHADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S4/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14/h2-7,16H,8-10,15H2,1H3.
What are the key properties of N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide?
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide is sourced from PubChem (CID 130358396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).