N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide

C6H13N3O2S2 — CID 4195369

IUPACN,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide
SMILESCSC1=NCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C6H13N3O2S2/c1-8(2)13(10,11)9-5-4-7-6(9)12-3/h4-5H2,1-3H3
InChIKeyDRKNLJFBJRGICD-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.17
Rot. Bonds2

About N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide

N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide (PubChem CID 4195369) has the molecular formula C6H13N3O2S2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide
PubChem CID4195369
Molecular FormulaC6H13N3O2S2
Molecular Weight223.32 g/mol
Exact Mass223.04
IUPAC NameN,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide
SMILESCSC1=NCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C6H13N3O2S2/c1-8(2)13(10,11)9-5-4-7-6(9)12-3/h4-5H2,1-3H3
InChIKeyDRKNLJFBJRGICD-UHFFFAOYSA-N
XLogP-0.17
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide (CID 4195369) is N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide is CSC1=NCCN1S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide?
The InChIKey is DRKNLJFBJRGICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S2/c1-8(2)13(10,11)9-5-4-7-6(9)12-3/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide?
N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide has a molecular weight of 223.32 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanyl-4,5-dihydroimidazole-1-sulfonamide is sourced from PubChem (CID 4195369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).