N,N,2-trimethylimidazole-1-sulfinamide

C6H11N3OS — CID 138717935

IUPACN,N,2-trimethylimidazole-1-sulfinamide
SMILESCc1nccn1S(=O)N(C)C
InChIInChI=1S/C6H11N3OS/c1-6-7-4-5-9(6)11(10)8(2)3/h4-5H,1-3H3
InChIKeyLSUQBJFLNMHSCF-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.18
Rot. Bonds2

About N,N,2-trimethylimidazole-1-sulfinamide

N,N,2-trimethylimidazole-1-sulfinamide (PubChem CID 138717935) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is N,N,2-trimethylimidazole-1-sulfinamide.

Molecular Properties

Compound NameN,N,2-trimethylimidazole-1-sulfinamide
PubChem CID138717935
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameN,N,2-trimethylimidazole-1-sulfinamide
SMILESCc1nccn1S(=O)N(C)C
InChIInChI=1S/C6H11N3OS/c1-6-7-4-5-9(6)11(10)8(2)3/h4-5H,1-3H3
InChIKeyLSUQBJFLNMHSCF-UHFFFAOYSA-N
XLogP0.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylimidazole-1-sulfinamide?
The IUPAC name of N,N,2-trimethylimidazole-1-sulfinamide (CID 138717935) is N,N,2-trimethylimidazole-1-sulfinamide.
What is the SMILES notation for N,N,2-trimethylimidazole-1-sulfinamide?
The canonical SMILES for N,N,2-trimethylimidazole-1-sulfinamide is Cc1nccn1S(=O)N(C)C.
What is the InChIKey of N,N,2-trimethylimidazole-1-sulfinamide?
The InChIKey is LSUQBJFLNMHSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-6-7-4-5-9(6)11(10)8(2)3/h4-5H,1-3H3.
What are the key properties of N,N,2-trimethylimidazole-1-sulfinamide?
N,N,2-trimethylimidazole-1-sulfinamide has a molecular weight of 173.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylimidazole-1-sulfinamide is sourced from PubChem (CID 138717935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).