1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine

C17H27N3O4S — CID 108565042

IUPAC1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
SMILESCc1cccc(OCC(=O)N2CCC(NS(=O)(=O)N(C)C)CC2)c1C
InChIInChI=1S/C17H27N3O4S/c1-13-6-5-7-16(14(13)2)24-12-17(21)20-10-8-15(9-11-20)18-25(22,23)19(3)4/h5-7,15,18H,8-12H2,1-4H3
InChIKeyKVDSYTQQWKLZBL-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine

1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine (PubChem CID 108565042) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
PubChem CID108565042
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
SMILESCc1cccc(OCC(=O)N2CCC(NS(=O)(=O)N(C)C)CC2)c1C
InChIInChI=1S/C17H27N3O4S/c1-13-6-5-7-16(14(13)2)24-12-17(21)20-10-8-15(9-11-20)18-25(22,23)19(3)4/h5-7,15,18H,8-12H2,1-4H3
InChIKeyKVDSYTQQWKLZBL-UHFFFAOYSA-N
XLogP1.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
CID 108565033
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
CID 108565003
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551499
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine (CID 108565042) is 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine is Cc1cccc(OCC(=O)N2CCC(NS(=O)(=O)N(C)C)CC2)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine?
The InChIKey is KVDSYTQQWKLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13-6-5-7-16(14(13)2)24-12-17(21)20-10-8-15(9-11-20)18-25(22,23)19(3)4/h5-7,15,18H,8-12H2,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine?
1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine has a molecular weight of 369.49 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine is sourced from PubChem (CID 108565042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).