N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide

C10H17N3O2S — CID 96566607

IUPACN-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N[C@@H](C)C2CC2)c1
InChIInChI=1S/C10H17N3O2S/c1-3-13-6-10(11-7-13)16(14,15)12-8(2)9-4-5-9/h6-9,12H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyLMNCZYCIBLLXBZ-QMMMGPOBSA-N
MW243.33 g/mol
LogP0.98
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide

N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide (PubChem CID 96566607) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
PubChem CID96566607
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N[C@@H](C)C2CC2)c1
InChIInChI=1S/C10H17N3O2S/c1-3-13-6-10(11-7-13)16(14,15)12-8(2)9-4-5-9/h6-9,12H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyLMNCZYCIBLLXBZ-QMMMGPOBSA-N
XLogP0.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
CID 114294574
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373993
1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115672023
1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide
CID 62373780
N-(1-cyanopropyl)-1-ethylimidazole-4-sulfonamide
CID 79372678
1-ethyl-N-(4-oxocyclohexyl)imidazole-4-sulfonamide
CID 79372684
(2S)-2-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylpentanoic acid
CID 79373361
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
N-(2-amino-1-cyclohexylethyl)-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 119983755
1-ethyl-N-[[2-(hydroxymethyl)cyclopentyl]methyl]imidazole-4-sulfonamide
CID 79373655

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide (CID 96566607) is N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N[C@@H](C)C2CC2)c1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide?
The InChIKey is LMNCZYCIBLLXBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-13-6-10(11-7-13)16(14,15)12-8(2)9-4-5-9/h6-9,12H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide?
N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 96566607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).