N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline

C14H21NO2S — CID 114111360

IUPACN-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccc(NC(C)(C)C2CC2)cc1
InChIInChI=1S/C14H21NO2S/c1-4-18(16,17)13-9-7-12(8-10-13)15-14(2,3)11-5-6-11/h7-11,15H,4-6H2,1-3H3
InChIKeyUIUGKYHZGDRPGG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds5

About N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline

N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline (PubChem CID 114111360) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
PubChem CID114111360
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccc(NC(C)(C)C2CC2)cc1
InChIInChI=1S/C14H21NO2S/c1-4-18(16,17)13-9-7-12(8-10-13)15-14(2,3)11-5-6-11/h7-11,15H,4-6H2,1-3H3
InChIKeyUIUGKYHZGDRPGG-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
4-(2-cyclopropylpropan-2-ylamino)benzenethiol
CID 70854319
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
CID 106165647
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-ethylsulfonylaniline
CID 107867414
N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
CID 106128111
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62977988
4-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107413945
N-[(3-aminocyclobutyl)methyl]-4-ethylsulfonylaniline
CID 66006290
N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
CID 43689650
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline (CID 114111360) is N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline is CCS(=O)(=O)c1ccc(NC(C)(C)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline?
The InChIKey is UIUGKYHZGDRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-18(16,17)13-9-7-12(8-10-13)15-14(2,3)11-5-6-11/h7-11,15H,4-6H2,1-3H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline?
N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline is sourced from PubChem (CID 114111360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).