1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

C15H24N2O4S2 — CID 124684745

IUPAC1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CNC)C2)cc1
InChIInChI=1S/C15H24N2O4S2/c1-3-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-4-5-13(12-17)11-16-2/h6-9,13,16H,3-5,10-12H2,1-2H3/t13-/m0/s1
InChIKeyIYUPLPGGXOAALI-ZDUSSCGKSA-N
MW360.50 g/mol
LogP1.10
Rot. Bonds6

About 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 124684745) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
PubChem CID124684745
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CNC)C2)cc1
InChIInChI=1S/C15H24N2O4S2/c1-3-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-4-5-13(12-17)11-16-2/h6-9,13,16H,3-5,10-12H2,1-2H3/t13-/m0/s1
InChIKeyIYUPLPGGXOAALI-ZDUSSCGKSA-N
XLogP1.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124683067
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 120998995
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine (CID 124684745) is 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine is CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CNC)C2)cc1.
What is the InChIKey of 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is IYUPLPGGXOAALI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-4-5-13(12-17)11-16-2/h6-9,13,16H,3-5,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 360.50 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 124684745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).