N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

C13H22N4O5S — CID 95209374

IUPACN-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCC[C@]1(C2CCN(C(=O)CNS(C)(=O)=O)CC2)NC(=O)NC1=O
InChIInChI=1S/C13H22N4O5S/c1-3-13(11(19)15-12(20)16-13)9-4-6-17(7-5-9)10(18)8-14-23(2,21)22/h9,14H,3-8H2,1-2H3,(H2,15,16,19,20)/t13-/m1/s1
InChIKeySOSOEJQTWHTBJN-CYBMUJFWSA-N
MW346.41 g/mol
LogP-1.24
Rot. Bonds5

About N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 95209374) has the molecular formula C13H22N4O5S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID95209374
Molecular FormulaC13H22N4O5S
Molecular Weight346.41 g/mol
Exact Mass346.13
IUPAC NameN-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCC[C@]1(C2CCN(C(=O)CNS(C)(=O)=O)CC2)NC(=O)NC1=O
InChIInChI=1S/C13H22N4O5S/c1-3-13(11(19)15-12(20)16-13)9-4-6-17(7-5-9)10(18)8-14-23(2,21)22/h9,14H,3-8H2,1-2H3,(H2,15,16,19,20)/t13-/m1/s1
InChIKeySOSOEJQTWHTBJN-CYBMUJFWSA-N
XLogP-1.24
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 95209374) is N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide is CC[C@]1(C2CCN(C(=O)CNS(C)(=O)=O)CC2)NC(=O)NC1=O.
What is the InChIKey of N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is SOSOEJQTWHTBJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N4O5S/c1-3-13(11(19)15-12(20)16-13)9-4-6-17(7-5-9)10(18)8-14-23(2,21)22/h9,14H,3-8H2,1-2H3,(H2,15,16,19,20)/t13-/m1/s1.
What are the key properties of N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 95209374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).