5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide

C10H16N2O4S3 — CID 43615493

IUPAC5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H16N2O4S3/c11-7-9-1-2-10(17-9)19(15,16)12-8-3-5-18(13,14)6-4-8/h1-2,8,12H,3-7,11H2
InChIKeyODDGFAHYSDOWAQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.06
Rot. Bonds4

About 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide (PubChem CID 43615493) has the molecular formula C10H16N2O4S3 and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
PubChem CID43615493
Molecular FormulaC10H16N2O4S3
Molecular Weight324.45 g/mol
Exact Mass324.03
IUPAC Name5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H16N2O4S3/c11-7-9-1-2-10(17-9)19(15,16)12-8-3-5-18(13,14)6-4-8/h1-2,8,12H,3-7,11H2
InChIKeyODDGFAHYSDOWAQ-UHFFFAOYSA-N
XLogP0.06
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 106267400
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
5-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 60857110
5-(2-aminoethyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64734291
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]thiophene-2-sulfonamide
CID 114098349
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 47304567
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide (CID 43615493) is 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)CC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
The InChIKey is ODDGFAHYSDOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S3/c11-7-9-1-2-10(17-9)19(15,16)12-8-3-5-18(13,14)6-4-8/h1-2,8,12H,3-7,11H2.
What are the key properties of 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43615493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).