1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

C14H23ClN2O2S — CID 120710068

IUPAC1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)N1CCC(NC)CC1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-12-6-4-5-7-14(12)19(17,18)16-10-8-13(15-2)9-11-16;/h4-7,13,15H,3,8-11H2,1-2H3;1H
InChIKeyBDUCVCMVLDKAEA-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 120710068) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
PubChem CID120710068
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)N1CCC(NC)CC1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-12-6-4-5-7-14(12)19(17,18)16-10-8-13(15-2)9-11-16;/h4-7,13,15H,3,8-11H2,1-2H3;1H
InChIKeyBDUCVCMVLDKAEA-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120710079
1-(2-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716572
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
CID 120710396
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
1-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53053394
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (CID 120710068) is 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is CCc1ccccc1S(=O)(=O)N1CCC(NC)CC1.Cl.
What is the InChIKey of 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is BDUCVCMVLDKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-3-12-6-4-5-7-14(12)19(17,18)16-10-8-13(15-2)9-11-16;/h4-7,13,15H,3,8-11H2,1-2H3;1H.
What are the key properties of 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120710068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).