2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H21N3O2S2 — CID 79878440

IUPAC2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1CCCCC1(C)C
InChIInChI=1S/C12H21N3O2S2/c1-8-10(18-11(13)14-8)19(16,17)15-9-6-4-5-7-12(9,2)3/h9,15H,4-7H2,1-3H3,(H2,13,14)
InChIKeyYDXSHLFLJPNGOZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 79878440) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID79878440
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1CCCCC1(C)C
InChIInChI=1S/C12H21N3O2S2/c1-8-10(18-11(13)14-8)19(16,17)15-9-6-4-5-7-12(9,2)3/h9,15H,4-7H2,1-3H3,(H2,13,14)
InChIKeyYDXSHLFLJPNGOZ-UHFFFAOYSA-N
XLogP2.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63945785
2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63946414
2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
CID 63945601
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947223
(2,2-dimethylcyclohexyl)sulfamic acid
CID 175440747
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107855913
N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944408
N-(2,2-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071372
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
CID 113482141
4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106071409
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 79878440) is 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC1CCCCC1(C)C.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YDXSHLFLJPNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-8-10(18-11(13)14-8)19(16,17)15-9-6-4-5-7-12(9,2)3/h9,15H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79878440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).