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

C8H17NO3S — CID 162475439

IUPAC1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C1(O)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)8(10)4-5-9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyWNQUCBHDEQRPQE-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds2

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

1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 162475439) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
PubChem CID162475439
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)C1(O)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)8(10)4-5-9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyWNQUCBHDEQRPQE-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
1-Ethylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 145766796
3-Tert-butyl-1-methylsulfonylpyrrolidin-3-ol
CID 156353104
3-Methoxy-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 162475479
1-Methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 177109205
(3R*,4R*)-1-(cyclopropylsulfonyl)-3-isopropyl-4-methyl-3-pyrrolidinol
CID 72924220
3-Methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 103746462
3-Methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 103871497
3-Methyl-1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
CID 103871538
3-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
CID 104549861
3-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
CID 104549873
2,4-Dimethyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentan-2-ol
CID 104550342

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol (CID 162475439) is 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol is CC(C)C1(O)CCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is WNQUCBHDEQRPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)8(10)4-5-9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol?
1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 162475439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).