(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine

C22H35N3O4S — CID 130336178

IUPAC(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
SMILESCC(=O)N1CCCC(NS(=O)(=O)N(C)C)[C@@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O4S/c1-17(26)25-15-7-10-21(23-30(27,28)24(2)3)22(25)16-29-20-13-11-19(12-14-20)18-8-5-4-6-9-18/h4-6,8-9,19-23H,7,10-16H2,1-3H3/t19?,20?,21?,22-/m0/s1
InChIKeySDLBPXVIISIXMJ-YTZNMQJJSA-N
MW437.61 g/mol
LogP2.50
Rot. Bonds7

About (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine

(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine (PubChem CID 130336178) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine.

Molecular Properties

Compound Name(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
PubChem CID130336178
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC Name(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
SMILESCC(=O)N1CCCC(NS(=O)(=O)N(C)C)[C@@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O4S/c1-17(26)25-15-7-10-21(23-30(27,28)24(2)3)22(25)16-29-20-13-11-19(12-14-20)18-8-5-4-6-9-18/h4-6,8-9,19-23H,7,10-16H2,1-3H3/t19?,20?,21?,22-/m0/s1
InChIKeySDLBPXVIISIXMJ-YTZNMQJJSA-N
XLogP2.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 164762601
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 137440626
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
N-[(2S,3R)-1-(oxetane-3-carbonyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472007
N-[(2R,3S)-1-acetyl-2-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310251
N-[(2R,3S)-1-acetyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310293
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
N-[(2R,3S)-2-[(4-phenylcyclohexyl)oxymethyl]-1-[2-(1,3-thiazol-2-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 130310216
1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
CID 166854328
methyl 3-(fluoromethylsulfonylamino)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 155059705

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The IUPAC name of (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine (CID 130336178) is (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine.
What is the SMILES notation for (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The canonical SMILES for (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine is CC(=O)N1CCCC(NS(=O)(=O)N(C)C)[C@@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
The InChIKey is SDLBPXVIISIXMJ-YTZNMQJJSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-17(26)25-15-7-10-21(23-30(27,28)24(2)3)22(25)16-29-20-13-11-19(12-14-20)18-8-5-4-6-9-18/h4-6,8-9,19-23H,7,10-16H2,1-3H3/t19?,20?,21?,22-/m0/s1.
What are the key properties of (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine?
(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine has a molecular weight of 437.61 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine is sourced from PubChem (CID 130336178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).