N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C17H24N2O5S2 — CID 7260135

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C17H24N2O5S2/c1-13-5-8-19(9-6-13)26(23,24)16-4-2-3-14(11-16)17(20)18-15-7-10-25(21,22)12-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyCBIHCQQIVZNAII-OAHLLOKOSA-N
MW400.52 g/mol
LogP1.02
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 7260135) 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]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID7260135
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C17H24N2O5S2/c1-13-5-8-19(9-6-13)26(23,24)16-4-2-3-14(11-16)17(20)18-15-7-10-25(21,22)12-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyCBIHCQQIVZNAII-OAHLLOKOSA-N
XLogP1.02
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7186323
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2963677
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109063989
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[(1,1-dioxothiolan-3-yl)amino]ethanone
CID 110824889
N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 2953885
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7126622

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 7260135) is N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is CBIHCQQIVZNAII-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-13-5-8-19(9-6-13)26(23,24)16-4-2-3-14(11-16)17(20)18-15-7-10-25(21,22)12-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 7260135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).