N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide

C17H24N2O5S2 — CID 7260123

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O5S2/c1-18(15-8-11-25(21,22)13-15)17(20)14-6-5-7-16(12-14)26(23,24)19-9-3-2-4-10-19/h5-7,12,15H,2-4,8-11,13H2,1H3/t15-/m1/s1
InChIKeyBCLXDDXWRLPABD-OAHLLOKOSA-N
MW400.52 g/mol
LogP1.12
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 7260123) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID7260123
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O5S2/c1-18(15-8-11-25(21,22)13-15)17(20)14-6-5-7-16(12-14)26(23,24)19-9-3-2-4-10-19/h5-7,12,15H,2-4,8-11,13H2,1H3/t15-/m1/s1
InChIKeyBCLXDDXWRLPABD-OAHLLOKOSA-N
XLogP1.12
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 40774867
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 60604552
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3397034
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 26004731
N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9438095
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-(3-nitrophenyl)sulfonylpiperidine-3-carboxamide
CID 41144914

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 7260123) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BCLXDDXWRLPABD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-18(15-8-11-25(21,22)13-15)17(20)14-6-5-7-16(12-14)26(23,24)19-9-3-2-4-10-19/h5-7,12,15H,2-4,8-11,13H2,1H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7260123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).