(2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine

C20H33N3O3S — CID 130310181

IUPAC(2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
SMILESCN(C)S(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-23(2)27(24,25)22-19-9-6-14-21-20(19)15-26-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-22H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1
InChIKeyYFCLIWLIUNZMCZ-GUMHCPJTSA-N
MW395.57 g/mol
LogP2.25
Rot. Bonds7

About (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine

(2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine (PubChem CID 130310181) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine.

Molecular Properties

Compound Name(2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
PubChem CID130310181
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name(2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
SMILESCN(C)S(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-23(2)27(24,25)22-19-9-6-14-21-20(19)15-26-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-22H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1
InChIKeyYFCLIWLIUNZMCZ-GUMHCPJTSA-N
XLogP2.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The IUPAC name of (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine (CID 130310181) is (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine.
What is the SMILES notation for (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The canonical SMILES for (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine is CN(C)S(=O)(=O)N[C@H]1CCCN[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The InChIKey is YFCLIWLIUNZMCZ-GUMHCPJTSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-23(2)27(24,25)22-19-9-6-14-21-20(19)15-26-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-22H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1.
What are the key properties of (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
(2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine has a molecular weight of 395.57 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine is sourced from PubChem (CID 130310181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).