N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide

C12H22N2O3S — CID 119785662

IUPACN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(CS(C)(=O)=O)N(C(=O)C1CCNC1)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-9(8-18(2,16)17)14(11-3-4-11)12(15)10-5-6-13-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyJKWQPCULXRNHDI-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.02
Rot. Bonds5

About N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide

N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 119785662) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
PubChem CID119785662
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(CS(C)(=O)=O)N(C(=O)C1CCNC1)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-9(8-18(2,16)17)14(11-3-4-11)12(15)10-5-6-13-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyJKWQPCULXRNHDI-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide (CID 119785662) is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide is CC(CS(C)(=O)=O)N(C(=O)C1CCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is JKWQPCULXRNHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(8-18(2,16)17)14(11-3-4-11)12(15)10-5-6-13-7-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide?
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119785662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).