N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide

C13H23N3O2S2 — CID 103415214

IUPACN-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCN(C1CCCCC1CN)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C13H23N3O2S2/c1-3-16(12-7-5-4-6-11(12)8-14)20(17,18)13-9-15-10(2)19-13/h9,11-12H,3-8,14H2,1-2H3
InChIKeyYWSILZGCWBJBMJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103415214) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103415214
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCN(C1CCCCC1CN)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C13H23N3O2S2/c1-3-16(12-7-5-4-6-11(12)8-14)20(17,18)13-9-15-10(2)19-13/h9,11-12H,3-8,14H2,1-2H3
InChIKeyYWSILZGCWBJBMJ-UHFFFAOYSA-N
XLogP1.98
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61044798
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61047185
2-chloro-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61052039
2-chloro-N-(4-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455756
2-chloro-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455797
2-chloro-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455804
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide
CID 43455876
2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455969
2-chloro-N-(cyclohexylmethyl)-1,3-thiazole-5-sulfonamide
CID 43455971
2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43455972
2-chloro-N-(2-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 54932519
2-chloro-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 54948743

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide (CID 103415214) is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide is CCN(C1CCCCC1CN)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YWSILZGCWBJBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-3-16(12-7-5-4-6-11(12)8-14)20(17,18)13-9-15-10(2)19-13/h9,11-12H,3-8,14H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).