N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide

C16H22N2O4S2 — CID 74241225

IUPACN-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1CCOC1)c1cccc(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C16H22N2O4S2/c19-16(17-11-13-4-7-22-12-13)14-2-1-3-15(10-14)24(20,21)18-5-8-23-9-6-18/h1-3,10,13H,4-9,11-12H2,(H,17,19)
InChIKeyJDBHNXADKJRPBP-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.19
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide

N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 74241225) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID74241225
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC NameN-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1CCOC1)c1cccc(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C16H22N2O4S2/c19-16(17-11-13-4-7-22-12-13)14-2-1-3-15(10-14)24(20,21)18-5-8-23-9-6-18/h1-3,10,13H,4-9,11-12H2,(H,17,19)
InChIKeyJDBHNXADKJRPBP-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
CID 72929925
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 99941962
3-(oxolan-3-ylmethylsulfamoyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 77091188
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4020681

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide (CID 74241225) is N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide is O=C(NCC1CCOC1)c1cccc(S(=O)(=O)N2CCSCC2)c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is JDBHNXADKJRPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c19-16(17-11-13-4-7-22-12-13)14-2-1-3-15(10-14)24(20,21)18-5-8-23-9-6-18/h1-3,10,13H,4-9,11-12H2,(H,17,19).
What are the key properties of N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide?
N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 370.50 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 74241225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).