[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol

C8H15NO3S — CID 164629585

IUPAC[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(C1CC1)N1CC[C@H](CO)C1
InChIInChI=1S/C8H15NO3S/c10-6-7-3-4-9(5-7)13(11,12)8-1-2-8/h7-8,10H,1-6H2/t7-/m0/s1
InChIKeyGJGMDUFEAXQFFX-ZETCQYMHSA-N
MW205.28 g/mol
LogP-0.21
Rot. Bonds3

About [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol

[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol (PubChem CID 164629585) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol
PubChem CID164629585
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol
SMILESO=S(=O)(C1CC1)N1CC[C@H](CO)C1
InChIInChI=1S/C8H15NO3S/c10-6-7-3-4-9(5-7)13(11,12)8-1-2-8/h7-8,10H,1-6H2/t7-/m0/s1
InChIKeyGJGMDUFEAXQFFX-ZETCQYMHSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol (CID 164629585) is [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol is O=S(=O)(C1CC1)N1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol?
The InChIKey is GJGMDUFEAXQFFX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-6-7-3-4-9(5-7)13(11,12)8-1-2-8/h7-8,10H,1-6H2/t7-/m0/s1.
What are the key properties of [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol?
[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol has a molecular weight of 205.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 164629585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).