N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline

C15H21NO2S — CID 43685167

IUPACN-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-10-3-8-13(19(2,17)18)9-14(10)16-15(11-4-5-11)12-6-7-12/h3,8-9,11-12,15-16H,4-7H2,1-2H3
InChIKeyPRHMJSLRLLECPU-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.00
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline

N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline (PubChem CID 43685167) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
PubChem CID43685167
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-10-3-8-13(19(2,17)18)9-14(10)16-15(11-4-5-11)12-6-7-12/h3,8-9,11-12,15-16H,4-7H2,1-2H3
InChIKeyPRHMJSLRLLECPU-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopentylmethyl)-2,4-bis(methylsulfonyl)aniline
CID 133306325
N-(dicyclopropylmethyl)-3-methylsulfonylaniline
CID 54861516
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
CID 43685169
N-(2-methyl-5-methylsulfonylphenyl)oxan-4-amine
CID 43685079
N-(2-methyl-5-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981615
N-heptan-2-yl-2-methyl-5-methylsulfonylaniline
CID 43685058
2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63426890
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
3-(dicyclopropylmethylamino)-2,6-dimethylphenol
CID 43741846
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline (CID 43685167) is N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline is Cc1ccc(S(C)(=O)=O)cc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline?
The InChIKey is PRHMJSLRLLECPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10-3-8-13(19(2,17)18)9-14(10)16-15(11-4-5-11)12-6-7-12/h3,8-9,11-12,15-16H,4-7H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline?
N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline has a molecular weight of 279.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-methyl-5-methylsulfonylaniline is sourced from PubChem (CID 43685167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).