5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide

C11H16N4O2S3 — CID 106262509

IUPAC5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2csc(CN)c2)s1
InChIInChI=1S/C11H16N4O2S3/c1-7(2)3-10-13-14-11(19-10)15-20(16,17)9-4-8(5-12)18-6-9/h4,6-7H,3,5,12H2,1-2H3,(H,14,15)
InChIKeyHMYNOLMFWWCKEL-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.06
Rot. Bonds6

About 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide

5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide (PubChem CID 106262509) has the molecular formula C11H16N4O2S3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide
PubChem CID106262509
Molecular FormulaC11H16N4O2S3
Molecular Weight332.48 g/mol
Exact Mass332.04
IUPAC Name5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2csc(CN)c2)s1
InChIInChI=1S/C11H16N4O2S3/c1-7(2)3-10-13-14-11(19-10)15-20(16,17)9-4-8(5-12)18-6-9/h4,6-7H,3,5,12H2,1-2H3,(H,14,15)
InChIKeyHMYNOLMFWWCKEL-UHFFFAOYSA-N
XLogP2.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259695
3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 20983490
4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106261423
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35539045
4-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740834
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106089734
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259755
2-bromo-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740851
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
CID 106261994

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide (CID 106262509) is 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2csc(CN)c2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide?
The InChIKey is HMYNOLMFWWCKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S3/c1-7(2)3-10-13-14-11(19-10)15-20(16,17)9-4-8(5-12)18-6-9/h4,6-7H,3,5,12H2,1-2H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide has a molecular weight of 332.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 106262509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).