1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine

C12H16Cl2N2O2S — CID 107070785

IUPAC1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
SMILESCC1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1N
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-3-2-4-16(12(8)15)19(17,18)11-6-9(13)5-10(14)7-11/h5-8,12H,2-4,15H2,1H3
InChIKeyVRRXVQWBLMDAMD-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.70
Rot. Bonds2

About 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine

1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine (PubChem CID 107070785) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
PubChem CID107070785
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
SMILESCC1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1N
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-3-2-4-16(12(8)15)19(17,18)11-6-9(13)5-10(14)7-11/h5-8,12H,2-4,15H2,1H3
InChIKeyVRRXVQWBLMDAMD-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
1-(3,5-dichlorophenyl)sulfonyl-2-isocyanato-3-methylpiperidine
CID 107070612
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 107070709
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070692
3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
CID 107070797
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine (CID 107070785) is 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine is CC1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1N.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine?
The InChIKey is VRRXVQWBLMDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8-3-2-4-16(12(8)15)19(17,18)11-6-9(13)5-10(14)7-11/h5-8,12H,2-4,15H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine?
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine has a molecular weight of 323.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine is sourced from PubChem (CID 107070785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).