(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide

C10H20N2O3S — CID 97158472

IUPAC(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)C)C1
InChIInChI=1S/C10H20N2O3S/c1-4-11-16(14,15)9-5-6-12(7-9)10(13)8(2)3/h8-9,11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyRUQQDKSHYUXELA-SECBINFHSA-N
MW248.35 g/mol
LogP0.18
Rot. Bonds4

About (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide

(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide (PubChem CID 97158472) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
PubChem CID97158472
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)C)C1
InChIInChI=1S/C10H20N2O3S/c1-4-11-16(14,15)9-5-6-12(7-9)10(13)8(2)3/h8-9,11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyRUQQDKSHYUXELA-SECBINFHSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide?
The IUPAC name of (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide (CID 97158472) is (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide is CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)C)C1.
What is the InChIKey of (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide?
The InChIKey is RUQQDKSHYUXELA-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-11-16(14,15)9-5-6-12(7-9)10(13)8(2)3/h8-9,11H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide?
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 97158472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).