(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol

C8H17NO3S — CID 62370436

IUPAC(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol
SMILESCC(C)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyWGYCNYCWOGPBKN-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds3

About (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol

(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol (PubChem CID 62370436) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol
PubChem CID62370436
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol
SMILESCC(C)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyWGYCNYCWOGPBKN-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol (CID 62370436) is (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol is CC(C)S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol?
The InChIKey is WGYCNYCWOGPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol?
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 62370436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).