5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole

C10H16N2O3S2 — CID 154738268

IUPAC5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
SMILESCO[C@H]1CCN(S(=O)(=O)c2sc(C)nc2C)C1
InChIInChI=1S/C10H16N2O3S2/c1-7-10(16-8(2)11-7)17(13,14)12-5-4-9(6-12)15-3/h9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyZMNHWFADMMDDGX-VIFPVBQESA-N
MW276.38 g/mol
LogP1.17
Rot. Bonds3

About 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole

5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole (PubChem CID 154738268) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
PubChem CID154738268
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
SMILESCO[C@H]1CCN(S(=O)(=O)c2sc(C)nc2C)C1
InChIInChI=1S/C10H16N2O3S2/c1-7-10(16-8(2)11-7)17(13,14)12-5-4-9(6-12)15-3/h9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyZMNHWFADMMDDGX-VIFPVBQESA-N
XLogP1.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 63945987
2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
CID 127408516
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidin-3-amine
CID 167966613
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-6,6-dimethylazepan-4-ol
CID 146130523
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 103531319
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
CID 131934907
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 103532801
3-(chloromethyl)-4-(3-methoxypyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazole
CID 103541223
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine
CID 136561789

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole (CID 154738268) is 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole is CO[C@H]1CCN(S(=O)(=O)c2sc(C)nc2C)C1.
What is the InChIKey of 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
The InChIKey is ZMNHWFADMMDDGX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-7-10(16-8(2)11-7)17(13,14)12-5-4-9(6-12)15-3/h9H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole has a molecular weight of 276.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 154738268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).