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

C12H21N3O2S2 — CID 103415209

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCN(C1CCCC1CN)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H21N3O2S2/c1-3-15(11-6-4-5-10(11)7-13)19(16,17)12-8-14-9(2)18-12/h8,10-11H,3-7,13H2,1-2H3
InChIKeyITOJOZUNEKFSTD-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.59
Rot. Bonds5

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

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103415209) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103415209
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCCN(C1CCCC1CN)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H21N3O2S2/c1-3-15(11-6-4-5-10(11)7-13)19(16,17)12-8-14-9(2)18-12/h8,10-11H,3-7,13H2,1-2H3
InChIKeyITOJOZUNEKFSTD-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 131894415
2-Methyl-5-[(7-methyl-6-azaspiro[3.4]octan-6-yl)sulfonyl]-1,3-thiazole
CID 128086329
2-chloro-N-(4-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455756
2-chloro-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455804
2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide
CID 43455879
2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455969
2-chloro-N-(cyclopentylmethyl)-1,3-thiazole-5-sulfonamide
CID 43455970
2-chloro-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43455972
2-chloro-N-(2-cyclopentylethyl)-1,3-thiazole-5-sulfonamide
CID 54932892
2-chloro-N-(4-ethylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 54955591
2-chloro-N-(1-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 55069221
2-chloro-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 55249446

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide (CID 103415209) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide is CCN(C1CCCC1CN)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ITOJOZUNEKFSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-15(11-6-4-5-10(11)7-13)19(16,17)12-8-14-9(2)18-12/h8,10-11H,3-7,13H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).