3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine

C12H23NO2S — CID 58584496

IUPAC3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine
SMILESCC1CCN(S(=O)(=O)CC2(C(C)C)CC2)C1
InChIInChI=1S/C12H23NO2S/c1-10(2)12(5-6-12)9-16(14,15)13-7-4-11(3)8-13/h10-11H,4-9H2,1-3H3
InChIKeyCCJPOFHETMDGHT-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.09
Rot. Bonds4

About 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine

3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine (PubChem CID 58584496) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine
PubChem CID58584496
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine
SMILESCC1CCN(S(=O)(=O)CC2(C(C)C)CC2)C1
InChIInChI=1S/C12H23NO2S/c1-10(2)12(5-6-12)9-16(14,15)13-7-4-11(3)8-13/h10-11H,4-9H2,1-3H3
InChIKeyCCJPOFHETMDGHT-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine (CID 58584496) is 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine is CC1CCN(S(=O)(=O)CC2(C(C)C)CC2)C1.
What is the InChIKey of 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine?
The InChIKey is CCJPOFHETMDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)12(5-6-12)9-16(14,15)13-7-4-11(3)8-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine?
3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine has a molecular weight of 245.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propan-2-ylcyclopropyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 58584496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).