1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol

C8H17NO3S — CID 177109205

IUPAC1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C1CN(S(C)(=O)=O)CC1O
InChIInChI=1S/C8H17NO3S/c1-6(2)7-4-9(5-8(7)10)13(3,11)12/h6-8,10H,4-5H2,1-3H3
InChIKeyDRABDMXWPJQHOZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.11
Rot. Bonds2

About 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol

1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol (PubChem CID 177109205) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
PubChem CID177109205
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C1CN(S(C)(=O)=O)CC1O
InChIInChI=1S/C8H17NO3S/c1-6(2)7-4-9(5-8(7)10)13(3,11)12/h6-8,10H,4-5H2,1-3H3
InChIKeyDRABDMXWPJQHOZ-UHFFFAOYSA-N
XLogP-0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol
CID 130815618
(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
1-Tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
CID 115275347
3-Hydroxy-4-propan-2-ylpyrrolidine-1-sulfinate
CID 129296350
1-Ethylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 145766796
1-Methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
CID 162475439
1-[(1-Methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 79622037
1-(1-Methylsulfonylpyrrolidin-3-yl)ethanol
CID 84066335
Cyclopropyl-(1-methylsulfonylpyrrolidin-3-yl)methanol
CID 84068606
(3S,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol
CID 102393425
(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol
CID 102393426
(3R,5R)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol
CID 102393430

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol (CID 177109205) is 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol is CC(C)C1CN(S(C)(=O)=O)CC1O.
What is the InChIKey of 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol?
The InChIKey is DRABDMXWPJQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2)7-4-9(5-8(7)10)13(3,11)12/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol?
1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 177109205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).