N-(6-imidazol-1-ylhexyl)methanesulfonamide

C10H19N3O2S — CID 110441232

IUPACN-(6-imidazol-1-ylhexyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCn1ccnc1
InChIInChI=1S/C10H19N3O2S/c1-16(14,15)12-6-4-2-3-5-8-13-9-7-11-10-13/h7,9-10,12H,2-6,8H2,1H3
InChIKeyNYWAYFBHHAOOQR-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.99
Rot. Bonds8

About N-(6-imidazol-1-ylhexyl)methanesulfonamide

N-(6-imidazol-1-ylhexyl)methanesulfonamide (PubChem CID 110441232) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(6-imidazol-1-ylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-imidazol-1-ylhexyl)methanesulfonamide
PubChem CID110441232
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(6-imidazol-1-ylhexyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCn1ccnc1
InChIInChI=1S/C10H19N3O2S/c1-16(14,15)12-6-4-2-3-5-8-13-9-7-11-10-13/h7,9-10,12H,2-6,8H2,1H3
InChIKeyNYWAYFBHHAOOQR-UHFFFAOYSA-N
XLogP0.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
CID 56812922
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
4-imidazol-1-ylbutylhydrazine
CID 86114724
4-imidazol-1-ylbutane-1-sulfonic acid;sulfuric acid
CID 175825454
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
3-imidazol-1-ylpropylurea
CID 22179621
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylhexyl)methanesulfonamide?
The IUPAC name of N-(6-imidazol-1-ylhexyl)methanesulfonamide (CID 110441232) is N-(6-imidazol-1-ylhexyl)methanesulfonamide.
What is the SMILES notation for N-(6-imidazol-1-ylhexyl)methanesulfonamide?
The canonical SMILES for N-(6-imidazol-1-ylhexyl)methanesulfonamide is CS(=O)(=O)NCCCCCCn1ccnc1.
What is the InChIKey of N-(6-imidazol-1-ylhexyl)methanesulfonamide?
The InChIKey is NYWAYFBHHAOOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-16(14,15)12-6-4-2-3-5-8-13-9-7-11-10-13/h7,9-10,12H,2-6,8H2,1H3.
What are the key properties of N-(6-imidazol-1-ylhexyl)methanesulfonamide?
N-(6-imidazol-1-ylhexyl)methanesulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylhexyl)methanesulfonamide is sourced from PubChem (CID 110441232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).