3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

C8H17NO3S — CID 155010754

IUPAC3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCS(=O)(=O)CCC(O)[C@@H]1CCCN1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)6-4-8(10)7-3-2-5-9-7/h7-10H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeySXILTIKZZMGTTM-JAMMHHFISA-N
MW207.29 g/mol
LogP-0.47
Rot. Bonds4

About 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (PubChem CID 155010754) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
PubChem CID155010754
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCS(=O)(=O)CCC(O)[C@@H]1CCCN1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)6-4-8(10)7-3-2-5-9-7/h7-10H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeySXILTIKZZMGTTM-JAMMHHFISA-N
XLogP-0.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (CID 155010754) is 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is CS(=O)(=O)CCC(O)[C@@H]1CCCN1.
What is the InChIKey of 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SXILTIKZZMGTTM-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)6-4-8(10)7-3-2-5-9-7/h7-10H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 155010754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).