1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol

C14H22N2O3S — CID 133410682

IUPAC1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1
InChIInChI=1S/C14H22N2O3S/c1-13(2,3)20(18,19)12-6-5-11(9-15-12)16-8-7-14(4,17)10-16/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyOLHGQAPNCCTWQU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.61
Rot. Bonds2

About 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol

1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol (PubChem CID 133410682) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
PubChem CID133410682
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1
InChIInChI=1S/C14H22N2O3S/c1-13(2,3)20(18,19)12-6-5-11(9-15-12)16-8-7-14(4,17)10-16/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyOLHGQAPNCCTWQU-UHFFFAOYSA-N
XLogP1.61
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
CID 153422486
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylsulfanylazepane
CID 102560377
4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 133360459
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356557
5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75379504
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
CID 133359969
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 96534194
[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 133373456
3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol
CID 103357771
[4-(6-tert-butylsulfonyl-3-pyridinyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 133373545

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol (CID 133410682) is 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1.
What is the InChIKey of 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol?
The InChIKey is OLHGQAPNCCTWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-13(2,3)20(18,19)12-6-5-11(9-15-12)16-8-7-14(4,17)10-16/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol?
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol has a molecular weight of 298.41 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 133410682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).