N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide

C12H24N2O3S — CID 164639979

IUPACN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C[C@H]1CCC(=O)N1)C(C)C
InChIInChI=1S/C12H24N2O3S/c1-4-5-8-18(16,17)14(10(2)3)9-11-6-7-12(15)13-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t11-/m1/s1
InChIKeyDAWYAKAQJRACRE-LLVKDONJSA-N
MW276.40 g/mol
LogP1.11
Rot. Bonds7

About N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide

N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 164639979) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
PubChem CID164639979
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C[C@H]1CCC(=O)N1)C(C)C
InChIInChI=1S/C12H24N2O3S/c1-4-5-8-18(16,17)14(10(2)3)9-11-6-7-12(15)13-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t11-/m1/s1
InChIKeyDAWYAKAQJRACRE-LLVKDONJSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide (CID 164639979) is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C[C@H]1CCC(=O)N1)C(C)C.
What is the InChIKey of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is DAWYAKAQJRACRE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-5-8-18(16,17)14(10(2)3)9-11-6-7-12(15)13-11/h10-11H,4-9H2,1-3H3,(H,13,15)/t11-/m1/s1.
What are the key properties of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide?
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 164639979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).