1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C11H18ClN3O2S2 — CID 62889113

IUPAC1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC1CN(C)C
InChIInChI=1S/C11H18ClN3O2S2/c1-8-10(18-11(12)13-8)19(16,17)15-6-4-5-9(15)7-14(2)3/h9H,4-7H2,1-3H3
InChIKeyDOUYSSSKTXDKPT-UHFFFAOYSA-N
MW323.87 g/mol
LogP1.82
Rot. Bonds4

About 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62889113) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62889113
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCC1CN(C)C
InChIInChI=1S/C11H18ClN3O2S2/c1-8-10(18-11(12)13-8)19(16,17)15-6-4-5-9(15)7-14(2)3/h9H,4-7H2,1-3H3
InChIKeyDOUYSSSKTXDKPT-UHFFFAOYSA-N
XLogP1.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456226
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991008
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 61045232
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
CID 79477565
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63236535
2-chloro-4-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazole
CID 61047057
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62889113) is 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is Cc1nc(Cl)sc1S(=O)(=O)N1CCCC1CN(C)C.
What is the InChIKey of 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is DOUYSSSKTXDKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-8-10(18-11(12)13-8)19(16,17)15-6-4-5-9(15)7-14(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 323.87 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62889113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).