1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine

C17H25N3O5S — CID 72912279

IUPAC1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine
SMILESCN(C)S(=O)(=O)NCC1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C17H25N3O5S/c1-19(2)26(22,23)18-10-14-4-3-7-20(11-14)17(21)9-13-5-6-15-16(8-13)25-12-24-15/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3
InChIKeyIDPOJLRXEDBRJR-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.59
Rot. Bonds6

About 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine

1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine (PubChem CID 72912279) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine
PubChem CID72912279
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine
SMILESCN(C)S(=O)(=O)NCC1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C17H25N3O5S/c1-19(2)26(22,23)18-10-14-4-3-7-20(11-14)17(21)9-13-5-6-15-16(8-13)25-12-24-15/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3
InChIKeyIDPOJLRXEDBRJR-UHFFFAOYSA-N
XLogP0.59
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044266
1-(3-aminoazepan-1-yl)-2-(1,3-benzodioxol-5-yl)ethanone;hydrochloride
CID 154896938
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 119040530
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 42300271
3-[(3R)-1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 42475393
N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504
N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722466
2-(1,3-benzodioxol-5-yl)-1-[2-(methylsulfonylmethyl)morpholin-4-yl]ethanone
CID 136566973
4-[2-(1,3-benzodioxol-5-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 110805106
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(1,3-benzodioxol-5-yl)ethanone
CID 97196722
2-(1,3-benzodioxol-5-yl)-1-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 134161641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine (CID 72912279) is 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine is CN(C)S(=O)(=O)NCC1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine?
The InChIKey is IDPOJLRXEDBRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-19(2)26(22,23)18-10-14-4-3-7-20(11-14)17(21)9-13-5-6-15-16(8-13)25-12-24-15/h5-6,8,14,18H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine?
1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine has a molecular weight of 383.47 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine is sourced from PubChem (CID 72912279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).