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

C11H19N3O2S2 — CID 103415207

IUPACN-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)C2CCCC2CN)s1
InChIInChI=1S/C11H19N3O2S2/c1-8-13-7-11(17-8)18(15,16)14(2)10-5-3-4-9(10)6-12/h7,9-10H,3-6,12H2,1-2H3
InChIKeyLWDCTWOMNANDIW-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.20
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 103415207) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID103415207
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(C)C2CCCC2CN)s1
InChIInChI=1S/C11H19N3O2S2/c1-8-13-7-11(17-8)18(15,16)14(2)10-5-3-4-9(10)6-12/h7,9-10H,3-6,12H2,1-2H3
InChIKeyLWDCTWOMNANDIW-UHFFFAOYSA-N
XLogP1.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.20
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,2-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide (CID 103415207) is N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(C)C2CCCC2CN)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is LWDCTWOMNANDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8-13-7-11(17-8)18(15,16)14(2)10-5-3-4-9(10)6-12/h7,9-10H,3-6,12H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.20, 4 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,2-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).