N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide

C13H18N4O4S2 — CID 18092252

IUPACN,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H18N4O4S2/c1-9(12(18)17-7-6-14-13(17)19)22-11-5-4-10(8-15-11)23(20,21)16(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)
InChIKeyNWXFRLSZZOKPBH-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.36
Rot. Bonds5

About N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide

N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide (PubChem CID 18092252) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
PubChem CID18092252
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC NameN,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCNC1=O
InChIInChI=1S/C13H18N4O4S2/c1-9(12(18)17-7-6-14-13(17)19)22-11-5-4-10(8-15-11)23(20,21)16(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)
InChIKeyNWXFRLSZZOKPBH-UHFFFAOYSA-N
XLogP0.36
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide (CID 18092252) is N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide is CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)N1CCNC1=O.
What is the InChIKey of N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide?
The InChIKey is NWXFRLSZZOKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-9(12(18)17-7-6-14-13(17)19)22-11-5-4-10(8-15-11)23(20,21)16(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19).
What are the key properties of N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide?
N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide has a molecular weight of 358.45 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 18092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).