1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide

C11H19N3O2S — CID 71633124

IUPAC1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(C)c1nccn1C1CC1
InChIInChI=1S/C11H19N3O2S/c1-8(2)13-17(15,16)9(3)11-12-6-7-14(11)10-4-5-10/h6-10,13H,4-5H2,1-3H3
InChIKeyFXTNHBVRXBQPTD-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.61
Rot. Bonds5

About 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide

1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide (PubChem CID 71633124) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide
PubChem CID71633124
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(C)c1nccn1C1CC1
InChIInChI=1S/C11H19N3O2S/c1-8(2)13-17(15,16)9(3)11-12-6-7-14(11)10-4-5-10/h6-10,13H,4-5H2,1-3H3
InChIKeyFXTNHBVRXBQPTD-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide?
The IUPAC name of 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide (CID 71633124) is 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)C(C)c1nccn1C1CC1.
What is the InChIKey of 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide?
The InChIKey is FXTNHBVRXBQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)13-17(15,16)9(3)11-12-6-7-14(11)10-4-5-10/h6-10,13H,4-5H2,1-3H3.
What are the key properties of 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide?
1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 71633124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).