5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide

C12H20N2O2S3 — CID 106072242

IUPAC5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCS2)sc1CN
InChIInChI=1S/C12H20N2O2S3/c1-9-6-12(18-11(9)7-13)19(15,16)14-8-10-4-2-3-5-17-10/h6,10,14H,2-5,7-8,13H2,1H3
InChIKeyYJJIWUNMCMCDMP-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.08
Rot. Bonds5

About 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106072242) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106072242
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCCS2)sc1CN
InChIInChI=1S/C12H20N2O2S3/c1-9-6-12(18-11(9)7-13)19(15,16)14-8-10-4-2-3-5-17-10/h6,10,14H,2-5,7-8,13H2,1H3
InChIKeyYJJIWUNMCMCDMP-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071767
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
4-hydrazinyl-2,6-dimethyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 107328091
5-(methylamino)-4-nitro-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 80728268
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071705
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide (CID 106072242) is 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2CCCCS2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is YJJIWUNMCMCDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-9-6-12(18-11(9)7-13)19(15,16)14-8-10-4-2-3-5-17-10/h6,10,14H,2-5,7-8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106072242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).