3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one

C10H17NO3S — CID 170389389

IUPAC3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)C1CC1)[C@@H]1CCNC1
InChIInChI=1S/C10H17NO3S/c12-10(8-3-5-11-7-8)4-6-15(13,14)9-1-2-9/h8-9,11H,1-7H2/t8-/m1/s1
InChIKeySVVGYGRIPLWHLZ-MRVPVSSYSA-N
MW231.32 g/mol
LogP0.13
Rot. Bonds5

About 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one

3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one (PubChem CID 170389389) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one
PubChem CID170389389
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)C1CC1)[C@@H]1CCNC1
InChIInChI=1S/C10H17NO3S/c12-10(8-3-5-11-7-8)4-6-15(13,14)9-1-2-9/h8-9,11H,1-7H2/t8-/m1/s1
InChIKeySVVGYGRIPLWHLZ-MRVPVSSYSA-N
XLogP0.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one?
The IUPAC name of 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one (CID 170389389) is 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one is O=C(CCS(=O)(=O)C1CC1)[C@@H]1CCNC1.
What is the InChIKey of 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one?
The InChIKey is SVVGYGRIPLWHLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-10(8-3-5-11-7-8)4-6-15(13,14)9-1-2-9/h8-9,11H,1-7H2/t8-/m1/s1.
What are the key properties of 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one?
3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one has a molecular weight of 231.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylsulfonyl-1-[(3R)-pyrrolidin-3-yl]propan-1-one is sourced from PubChem (CID 170389389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).