N-(dicyclopropylmethyl)-3-methylsulfonylaniline

C14H19NO2S — CID 54861516

IUPACN-(dicyclopropylmethyl)-3-methylsulfonylaniline
SMILESCS(=O)(=O)c1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H19NO2S/c1-18(16,17)13-4-2-3-12(9-13)15-14(10-5-6-10)11-7-8-11/h2-4,9-11,14-15H,5-8H2,1H3
InChIKeyZKZNQHVQLOVDNF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.69
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-methylsulfonylaniline

N-(dicyclopropylmethyl)-3-methylsulfonylaniline (PubChem CID 54861516) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-methylsulfonylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-methylsulfonylaniline
PubChem CID54861516
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(dicyclopropylmethyl)-3-methylsulfonylaniline
SMILESCS(=O)(=O)c1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H19NO2S/c1-18(16,17)13-4-2-3-12(9-13)15-14(10-5-6-10)11-7-8-11/h2-4,9-11,14-15H,5-8H2,1H3
InChIKeyZKZNQHVQLOVDNF-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-methylsulfonylaniline
CID 61313567
N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685167
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778
N-(dicyclopentylmethyl)-2,4-bis(methylsulfonyl)aniline
CID 133306325
N-(5-methylheptan-3-yl)-3-methylsulfonylaniline
CID 54861663
N-(dicyclopropylmethyl)-3-ethynylaniline
CID 43173307
4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
CID 43742541
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
CID 114817465
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-methylsulfonylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-methylsulfonylaniline (CID 54861516) is N-(dicyclopropylmethyl)-3-methylsulfonylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-methylsulfonylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-methylsulfonylaniline is CS(=O)(=O)c1cccc(NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-methylsulfonylaniline?
The InChIKey is ZKZNQHVQLOVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18(16,17)13-4-2-3-12(9-13)15-14(10-5-6-10)11-7-8-11/h2-4,9-11,14-15H,5-8H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-3-methylsulfonylaniline?
N-(dicyclopropylmethyl)-3-methylsulfonylaniline has a molecular weight of 265.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-methylsulfonylaniline is sourced from PubChem (CID 54861516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).