N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide

C14H17N3O2S2 — CID 61480656

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-15-8-10-2-6-12(7-3-10)21(18,19)17-14-16-13(9-20-14)11-4-5-11/h2-3,6-7,9,11,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyIMXDKPCDBDQHRZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.54
Rot. Bonds6

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 61480656) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID61480656
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-15-8-10-2-6-12(7-3-10)21(18,19)17-14-16-13(9-20-14)11-4-5-11/h2-3,6-7,9,11,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyIMXDKPCDBDQHRZ-UHFFFAOYSA-N
XLogP2.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
CID 62157211
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157575
6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 115606342
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 61480808
3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106053656
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-4-sulfonamide
CID 62158122
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 61479666
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106053658
4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912960
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide (CID 61480656) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is IMXDKPCDBDQHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-15-8-10-2-6-12(7-3-10)21(18,19)17-14-16-13(9-20-14)11-4-5-11/h2-3,6-7,9,11,15H,4-5,8H2,1H3,(H,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 61480656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).