[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine

C10H17N3O2S2 — CID 120778216

IUPAC[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
SMILESCc1ncc(S(=O)(=O)N2CCC(C)(CN)C2)s1
InChIInChI=1S/C10H17N3O2S2/c1-8-12-5-9(16-8)17(14,15)13-4-3-10(2,6-11)7-13/h5H,3-4,6-7,11H2,1-2H3
InChIKeyZUBQQYWKFWBVIN-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.81
Rot. Bonds3

About [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine (PubChem CID 120778216) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
PubChem CID120778216
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
SMILESCc1ncc(S(=O)(=O)N2CCC(C)(CN)C2)s1
InChIInChI=1S/C10H17N3O2S2/c1-8-12-5-9(16-8)17(14,15)13-4-3-10(2,6-11)7-13/h5H,3-4,6-7,11H2,1-2H3
InChIKeyZUBQQYWKFWBVIN-UHFFFAOYSA-N
XLogP0.81
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131020159
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982941
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 120778263
[1-[(5-chloro-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120777344
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112
[1-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777233
N'-hydroxy-4-methylsulfanyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboximidamide
CID 103415739
2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
CID 103414427
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine (CID 120778216) is [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine is Cc1ncc(S(=O)(=O)N2CCC(C)(CN)C2)s1.
What is the InChIKey of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine?
The InChIKey is ZUBQQYWKFWBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8-12-5-9(16-8)17(14,15)13-4-3-10(2,6-11)7-13/h5H,3-4,6-7,11H2,1-2H3.
What are the key properties of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120778216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).