(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

C10H17N3O3S — CID 66291193

IUPAC(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H17N3O3S/c1-7-10(8(2)12(3)11-7)17(15,16)13-5-4-9(14)6-13/h9,14H,4-6H2,1-3H3/t9-/m0/s1
InChIKeySMSYZAYLWINKAA-VIFPVBQESA-N
MW259.33 g/mol
LogP-0.21
Rot. Bonds2

About (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 66291193) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID66291193
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H17N3O3S/c1-7-10(8(2)12(3)11-7)17(15,16)13-5-4-9(14)6-13/h9,14H,4-6H2,1-3H3/t9-/m0/s1
InChIKeySMSYZAYLWINKAA-VIFPVBQESA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
CID 167796603
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 114498903
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 62061935
(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 125419860
2-(chloromethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
CID 81212496
4-(2-methoxyethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 91918299

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (CID 66291193) is (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is SMSYZAYLWINKAA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-10(8(2)12(3)11-7)17(15,16)13-5-4-9(14)6-13/h9,14H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 259.33 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).