4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide

C10H16N2O2S3 — CID 106084527

IUPAC4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NC2CCSCC2)c1
InChIInChI=1S/C10H16N2O2S3/c11-6-8-5-10(16-7-8)17(13,14)12-9-1-3-15-4-2-9/h5,7,9,12H,1-4,6,11H2
InChIKeyMOSMMKVQDZTCMO-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.38
Rot. Bonds4

About 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide (PubChem CID 106084527) has the molecular formula C10H16N2O2S3 and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
PubChem CID106084527
Molecular FormulaC10H16N2O2S3
Molecular Weight292.45 g/mol
Exact Mass292.04
IUPAC Name4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)NC2CCSCC2)c1
InChIInChI=1S/C10H16N2O2S3/c11-6-8-5-10(16-7-8)17(13,14)12-9-1-3-15-4-2-9/h5,7,9,12H,1-4,6,11H2
InChIKeyMOSMMKVQDZTCMO-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114138567
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide
CID 106064093
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106053658
3-(aminomethyl)-4-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084469
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide (CID 106084527) is 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)NC2CCSCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide?
The InChIKey is MOSMMKVQDZTCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S3/c11-6-8-5-10(16-7-8)17(13,14)12-9-1-3-15-4-2-9/h5,7,9,12H,1-4,6,11H2.
What are the key properties of 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106084527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).