1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile

C10H15N3O2S — CID 103849677

IUPAC1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile
SMILESCC(C)(C)S(=O)(=O)CCn1ccnc1C#N
InChIInChI=1S/C10H15N3O2S/c1-10(2,3)16(14,15)7-6-13-5-4-12-9(13)8-11/h4-5H,6-7H2,1-3H3
InChIKeyXEEGYFQBXAQICM-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.97
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile

1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile (PubChem CID 103849677) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile
PubChem CID103849677
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile
SMILESCC(C)(C)S(=O)(=O)CCn1ccnc1C#N
InChIInChI=1S/C10H15N3O2S/c1-10(2,3)16(14,15)7-6-13-5-4-12-9(13)8-11/h4-5H,6-7H2,1-3H3
InChIKeyXEEGYFQBXAQICM-UHFFFAOYSA-N
XLogP0.97
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylbutyl)imidazole-2-carbonitrile
CID 79002203
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717653
1-(2-tert-butylsulfonylethyl)indole-5-carbonitrile
CID 107920167
1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
CID 82908033
1-(2-cyano-3,3,3-trifluoropropyl)imidazole-2-carbonitrile
CID 103368174
1-[2-(3,4-dimethoxyphenyl)ethyl]imidazole-2-carbonitrile
CID 167905632
1-(2-tert-butylsulfonylethyl)pyridin-4-one
CID 106731656
1-[4-(oxan-4-yl)butyl]imidazole-2-carbonitrile
CID 114192613
4-[2-(2-methylimidazol-1-yl)ethylsulfonyl]benzonitrile
CID 79506485
[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
CID 106717193
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile (CID 103849677) is 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile is CC(C)(C)S(=O)(=O)CCn1ccnc1C#N.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile?
The InChIKey is XEEGYFQBXAQICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-10(2,3)16(14,15)7-6-13-5-4-12-9(13)8-11/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile?
1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile has a molecular weight of 241.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile is sourced from PubChem (CID 103849677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).