N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide

C14H20N2O3S — CID 102874024

IUPACN-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(CCN)C2CCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-7-5-11(6-8-13)14(17)16(10-9-15)12-3-2-4-12/h5-8,12H,2-4,9-10,15H2,1H3
InChIKeyIZMHCKSOAQQLKM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.04
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide

N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide (PubChem CID 102874024) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
PubChem CID102874024
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(CCN)C2CCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-7-5-11(6-8-13)14(17)16(10-9-15)12-3-2-4-12/h5-8,12H,2-4,9-10,15H2,1H3
InChIKeyIZMHCKSOAQQLKM-UHFFFAOYSA-N
XLogP1.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102872269
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 63754982
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide (CID 102874024) is N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)N(CCN)C2CCC2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
The InChIKey is IZMHCKSOAQQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)13-7-5-11(6-8-13)14(17)16(10-9-15)12-3-2-4-12/h5-8,12H,2-4,9-10,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 102874024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).