N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline

C14H21NO2S — CID 102846480

IUPACN-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline
SMILESCCC1(CNc2ccc(S(=O)(=O)CC)cc2)CC1
InChIInChI=1S/C14H21NO2S/c1-3-14(9-10-14)11-15-12-5-7-13(8-6-12)18(16,17)4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUBDBKKUNVFVZTO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds6

About N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline

N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline (PubChem CID 102846480) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline
PubChem CID102846480
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline
SMILESCCC1(CNc2ccc(S(=O)(=O)CC)cc2)CC1
InChIInChI=1S/C14H21NO2S/c1-3-14(9-10-14)11-15-12-5-7-13(8-6-12)18(16,17)4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUBDBKKUNVFVZTO-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline
CID 102846501
4-ethylsulfonyl-N-[(1-methoxycyclobutyl)methyl]aniline
CID 102846526
N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
CID 113488863
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylsulfonylaniline
CID 113313747
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
4-ethylsulfonyl-N-pentylaniline
CID 43453358
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
N-[(3-aminocyclobutyl)methyl]-4-ethylsulfonylaniline
CID 66006290

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline (CID 102846480) is N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline is CCC1(CNc2ccc(S(=O)(=O)CC)cc2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline?
The InChIKey is UBDBKKUNVFVZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-14(9-10-14)11-15-12-5-7-13(8-6-12)18(16,17)4-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline?
N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-4-ethylsulfonylaniline is sourced from PubChem (CID 102846480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).