N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide

C13H23N3O2S — CID 91911722

IUPACN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C13H23N3O2S/c1-3-8-19(17,18)15-7-6-13-14-9-11(2)16(13)10-12-4-5-12/h9,12,15H,3-8,10H2,1-2H3
InChIKeyZTOJOVJTXVPNHF-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.47
Rot. Bonds8

About N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide

N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide (PubChem CID 91911722) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide
PubChem CID91911722
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ncc(C)n1CC1CC1
InChIInChI=1S/C13H23N3O2S/c1-3-8-19(17,18)15-7-6-13-14-9-11(2)16(13)10-12-4-5-12/h9,12,15H,3-8,10H2,1-2H3
InChIKeyZTOJOVJTXVPNHF-UHFFFAOYSA-N
XLogP1.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide (CID 91911722) is N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1ncc(C)n1CC1CC1.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
The InChIKey is ZTOJOVJTXVPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-8-19(17,18)15-7-6-13-14-9-11(2)16(13)10-12-4-5-12/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide?
N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 91911722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).