1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide

C10H12N4O2S2 — CID 106081189

IUPAC1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C10H12N4O2S2/c11-5-8-1-3-9(4-2-8)6-18(15,16)14-10-13-12-7-17-10/h1-4,7H,5-6,11H2,(H,13,14)
InChIKeyBGHRIKLNFHFPHA-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.94
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 106081189) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID106081189
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C10H12N4O2S2/c11-5-8-1-3-9(4-2-8)6-18(15,16)14-10-13-12-7-17-10/h1-4,7H,5-6,11H2,(H,13,14)
InChIKeyBGHRIKLNFHFPHA-UHFFFAOYSA-N
XLogP0.94
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808
3-(1,3,4-thiadiazol-2-ylsulfamoylmethyl)benzenecarbothioamide
CID 54897181
N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 71967960
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247
1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60807993
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163353225
4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 58302671
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058
1-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 29050516

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 106081189) is 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide is NCc1ccc(CS(=O)(=O)Nc2nncs2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is BGHRIKLNFHFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c11-5-8-1-3-9(4-2-8)6-18(15,16)14-10-13-12-7-17-10/h1-4,7H,5-6,11H2,(H,13,14).
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 106081189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).