2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide

C12H15NO3S — CID 103750362

IUPAC2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCS1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO3S/c14-8-3-4-10(11(15)6-8)12(16)13-7-9-2-1-5-17-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,13,16)
InChIKeyGCAWRUOZTLJFRB-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.72
Rot. Bonds3

About 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide

2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 103750362) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
PubChem CID103750362
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCS1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO3S/c14-8-3-4-10(11(15)6-8)12(16)13-7-9-2-1-5-17-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,13,16)
InChIKeyGCAWRUOZTLJFRB-UHFFFAOYSA-N
XLogP1.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
CID 106854161
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
5-amino-2,4-difluoro-N-(thiolan-2-ylmethyl)benzamide
CID 80583719
5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzamide
CID 80599963
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80583509
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide (CID 103750362) is 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide is O=C(NCC1CCCS1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is GCAWRUOZTLJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-8-3-4-10(11(15)6-8)12(16)13-7-9-2-1-5-17-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,13,16).
What are the key properties of 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide?
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 253.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 103750362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).