N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide

C17H25N3O2S2 — CID 155073938

IUPACN-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(CC(C)(C)Nc2nccs2)c1
InChIInChI=1S/C17H25N3O2S2/c1-16(2,3)20-24(21,22)14-8-6-7-13(11-14)12-17(4,5)19-15-18-9-10-23-15/h6-11,20H,12H2,1-5H3,(H,18,19)
InChIKeyYBLAVZJDEULYJE-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.65
Rot. Bonds6

About N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide

N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide (PubChem CID 155073938) has the molecular formula C17H25N3O2S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide
PubChem CID155073938
Molecular FormulaC17H25N3O2S2
Molecular Weight367.54 g/mol
Exact Mass367.14
IUPAC NameN-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(CC(C)(C)Nc2nccs2)c1
InChIInChI=1S/C17H25N3O2S2/c1-16(2,3)20-24(21,22)14-8-6-7-13(11-14)12-17(4,5)19-15-18-9-10-23-15/h6-11,20H,12H2,1-5H3,(H,18,19)
InChIKeyYBLAVZJDEULYJE-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71689341
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814
3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 134204060
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170091244

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide (CID 155073938) is N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(CC(C)(C)Nc2nccs2)c1.
What is the InChIKey of N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide?
The InChIKey is YBLAVZJDEULYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S2/c1-16(2,3)20-24(21,22)14-8-6-7-13(11-14)12-17(4,5)19-15-18-9-10-23-15/h6-11,20H,12H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide?
N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide has a molecular weight of 367.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-methyl-2-(1,3-thiazol-2-ylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 155073938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).