N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine

C16H22ClNO2S — CID 83169561

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCC(C1CC1)C1CC1
InChIInChI=1S/C16H22ClNO2S/c1-21(19,20)16-4-2-3-15(17)14(16)10-18-9-13(11-5-6-11)12-7-8-12/h2-4,11-13,18H,5-10H2,1H3
InChIKeyNSYOIMZCIYJWPJ-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.27
Rot. Bonds7

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine (PubChem CID 83169561) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
PubChem CID83169561
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCC(C1CC1)C1CC1
InChIInChI=1S/C16H22ClNO2S/c1-21(19,20)16-4-2-3-15(17)14(16)10-18-9-13(11-5-6-11)12-7-8-12/h2-4,11-13,18H,5-10H2,1H3
InChIKeyNSYOIMZCIYJWPJ-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
CID 83169876
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 83170369
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol
CID 83170359
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 104589757
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-methylcyclohexyl)methanamine
CID 104589740
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 104589822
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 83169424

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine (CID 83169561) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine is CS(=O)(=O)c1cccc(Cl)c1CNCC(C1CC1)C1CC1.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine?
The InChIKey is NSYOIMZCIYJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-21(19,20)16-4-2-3-15(17)14(16)10-18-9-13(11-5-6-11)12-7-8-12/h2-4,11-13,18H,5-10H2,1H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine has a molecular weight of 327.88 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine is sourced from PubChem (CID 83169561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).