N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide

C9H17N3O2S — CID 71635472

IUPACN-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide
SMILESCCNS(=O)(=O)Cc1nccn1C(C)C
InChIInChI=1S/C9H17N3O2S/c1-4-11-15(13,14)7-9-10-5-6-12(9)8(2)3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyOKSSFCOYKOHYBX-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.90
Rot. Bonds5

About N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide

N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide (PubChem CID 71635472) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide
PubChem CID71635472
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide
SMILESCCNS(=O)(=O)Cc1nccn1C(C)C
InChIInChI=1S/C9H17N3O2S/c1-4-11-15(13,14)7-9-10-5-6-12(9)8(2)3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyOKSSFCOYKOHYBX-UHFFFAOYSA-N
XLogP0.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
N-[(2R)-2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443200
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
(1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
CID 97175126
N-ethyl-1-methylimidazole-2-sulfonamide
CID 130916931
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 97177613
N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 71635426
[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide
CID 114763859
N-[(1-propan-2-ylimidazol-2-yl)methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
CID 122563107
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide (CID 71635472) is N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide is CCNS(=O)(=O)Cc1nccn1C(C)C.
What is the InChIKey of N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide?
The InChIKey is OKSSFCOYKOHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-11-15(13,14)7-9-10-5-6-12(9)8(2)3/h5-6,8,11H,4,7H2,1-3H3.
What are the key properties of N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide?
N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-propan-2-ylimidazol-2-yl)methanesulfonamide is sourced from PubChem (CID 71635472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).