1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide

C12H24N2O2S — CID 123929648

IUPAC1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1S(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2S/c1-5-8-13-11(15)10-7-6-9-14(10)17(16)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyJWFOIKCKZQVMAE-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.44
Rot. Bonds4

About 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide

1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 123929648) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide
PubChem CID123929648
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CCCN1S(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2S/c1-5-8-13-11(15)10-7-6-9-14(10)17(16)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyJWFOIKCKZQVMAE-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide (CID 123929648) is 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CCCN1S(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is JWFOIKCKZQVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-5-8-13-11(15)10-7-6-9-14(10)17(16)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide?
1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123929648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).