N-(2,4-dihydroxythiolan-3-yl)benzamide

C11H13NO3S — CID 68577502

IUPACN-(2,4-dihydroxythiolan-3-yl)benzamide
SMILESO=C(NC1C(O)CSC1O)c1ccccc1
InChIInChI=1S/C11H13NO3S/c13-8-6-16-11(15)9(8)12-10(14)7-4-2-1-3-5-7/h1-5,8-9,11,13,15H,6H2,(H,12,14)
InChIKeyROQRVOPXSAHBEX-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.21
Rot. Bonds2

About N-(2,4-dihydroxythiolan-3-yl)benzamide

N-(2,4-dihydroxythiolan-3-yl)benzamide (PubChem CID 68577502) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(2,4-dihydroxythiolan-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dihydroxythiolan-3-yl)benzamide
PubChem CID68577502
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-(2,4-dihydroxythiolan-3-yl)benzamide
SMILESO=C(NC1C(O)CSC1O)c1ccccc1
InChIInChI=1S/C11H13NO3S/c13-8-6-16-11(15)9(8)12-10(14)7-4-2-1-3-5-7/h1-5,8-9,11,13,15H,6H2,(H,12,14)
InChIKeyROQRVOPXSAHBEX-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
5-[(2S,3S,4S)-4-benzamido-3-hydroxythiolan-2-yl]pentanoic acid
CID 26434661
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 12878375
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide
CID 4743211
methyl (2R,3E,4S)-4-benzamido-3-hydroxyiminothiolane-2-carboxylate
CID 7340231
N-(2-ethylcyclopropyl)benzamide
CID 103669419
methyl 5-[(2S,3S,4R)-3,4-dibenzamidothiolan-2-yl]pentanoate
CID 26413354
methyl 5-[(2S,3R,4R)-3,4-dibenzamidothiolan-2-yl]pentanoate
CID 124716300

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxythiolan-3-yl)benzamide?
The IUPAC name of N-(2,4-dihydroxythiolan-3-yl)benzamide (CID 68577502) is N-(2,4-dihydroxythiolan-3-yl)benzamide.
What is the SMILES notation for N-(2,4-dihydroxythiolan-3-yl)benzamide?
The canonical SMILES for N-(2,4-dihydroxythiolan-3-yl)benzamide is O=C(NC1C(O)CSC1O)c1ccccc1.
What is the InChIKey of N-(2,4-dihydroxythiolan-3-yl)benzamide?
The InChIKey is ROQRVOPXSAHBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-8-6-16-11(15)9(8)12-10(14)7-4-2-1-3-5-7/h1-5,8-9,11,13,15H,6H2,(H,12,14).
What are the key properties of N-(2,4-dihydroxythiolan-3-yl)benzamide?
N-(2,4-dihydroxythiolan-3-yl)benzamide has a molecular weight of 239.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxythiolan-3-yl)benzamide is sourced from PubChem (CID 68577502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).