4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide

C14H24N2O3S — CID 166255779

IUPAC4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide
SMILESCC1(C)CC=C(C(=O)NCC2(S(N)(=O)=O)CCC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-13(2)8-4-11(5-9-13)12(17)16-10-14(6-3-7-14)20(15,18)19/h4H,3,5-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyWAIUOTYOJBNGTB-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.45
Rot. Bonds4

About 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide

4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide (PubChem CID 166255779) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide
PubChem CID166255779
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide
SMILESCC1(C)CC=C(C(=O)NCC2(S(N)(=O)=O)CCC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-13(2)8-4-11(5-9-13)12(17)16-10-14(6-3-7-14)20(15,18)19/h4H,3,5-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyWAIUOTYOJBNGTB-UHFFFAOYSA-N
XLogP1.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxyspiro[4.5]dec-8-ene-8-carboxamide
CID 118593765
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
4-methyl-N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 79819054
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide
CID 67393095
1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide
CID 138030173
N-[(4-methyloxan-4-yl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 103742641
1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138030169
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
CID 103991189

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide (CID 166255779) is 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide is CC1(C)CC=C(C(=O)NCC2(S(N)(=O)=O)CCC2)CC1.
What is the InChIKey of 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide?
The InChIKey is WAIUOTYOJBNGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-13(2)8-4-11(5-9-13)12(17)16-10-14(6-3-7-14)20(15,18)19/h4H,3,5-10H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide?
4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(1-sulfamoylcyclobutyl)methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 166255779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).