(3S)-1-cyclopropylsulfonylpyrrolidin-3-ol

C7H13NO3S — CID 66291199

IUPAC(3S)-1-cyclopropylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(C1CC1)N1CC[C@H](O)C1
InChIInChI=1S/C7H13NO3S/c9-6-3-4-8(5-6)12(10,11)7-1-2-7/h6-7,9H,1-5H2/t6-/m0/s1
InChIKeyMHISXEQFRSBVNT-LURJTMIESA-N
MW191.25 g/mol
LogP-0.45
Rot. Bonds2

About (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol

(3S)-1-cyclopropylsulfonylpyrrolidin-3-ol (PubChem CID 66291199) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-cyclopropylsulfonylpyrrolidin-3-ol
PubChem CID66291199
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(3S)-1-cyclopropylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(C1CC1)N1CC[C@H](O)C1
InChIInChI=1S/C7H13NO3S/c9-6-3-4-8(5-6)12(10,11)7-1-2-7/h6-7,9H,1-5H2/t6-/m0/s1
InChIKeyMHISXEQFRSBVNT-LURJTMIESA-N
XLogP-0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.45
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-ol?
The IUPAC name of (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol (CID 66291199) is (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol is O=S(=O)(C1CC1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol?
The InChIKey is MHISXEQFRSBVNT-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3S/c9-6-3-4-8(5-6)12(10,11)7-1-2-7/h6-7,9H,1-5H2/t6-/m0/s1.
What are the key properties of (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol?
(3S)-1-cyclopropylsulfonylpyrrolidin-3-ol has a molecular weight of 191.25 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).