N-hydroxy-1,4-dithiane-2-carboxamide

C5H9NO2S2 — CID 131102146

IUPACN-hydroxy-1,4-dithiane-2-carboxamide
SMILESO=C(NO)C1CSCCS1
InChIInChI=1S/C5H9NO2S2/c7-5(6-8)4-3-9-1-2-10-4/h4,8H,1-3H2,(H,6,7)
InChIKeyMDHZVLKTLUTNIS-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.34
Rot. Bonds1

About N-hydroxy-1,4-dithiane-2-carboxamide

N-hydroxy-1,4-dithiane-2-carboxamide (PubChem CID 131102146) has the molecular formula C5H9NO2S2 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-hydroxy-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,4-dithiane-2-carboxamide
PubChem CID131102146
Molecular FormulaC5H9NO2S2
Molecular Weight179.27 g/mol
Exact Mass179.01
IUPAC NameN-hydroxy-1,4-dithiane-2-carboxamide
SMILESO=C(NO)C1CSCCS1
InChIInChI=1S/C5H9NO2S2/c7-5(6-8)4-3-9-1-2-10-4/h4,8H,1-3H2,(H,6,7)
InChIKeyMDHZVLKTLUTNIS-UHFFFAOYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1,4-dithiane-2-carboxamide;hydrochloride
CID 119524745
N-[2-(cycloheptylamino)ethyl]-1,4-dithiane-2-carboxamide
CID 91645418
N-[3,5-bis(trifluoromethyl)phenyl]-1,4-dithiane-2-carboxamide
CID 86975714
(1R,5R,6R)-6-(1,4-dithiane-2-carbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 167836557
N-naphthalen-1-yl-1,4-dithiane-2-carboxamide
CID 112762776
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-dithiane-2-carboxamide
CID 112760935
N-(2-amino-2-phenylethyl)-1,4-dithiane-2-carboxamide
CID 119529464
N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1,4-dithiane-2-carboxamide
CID 138013859
1,4-dithian-2-yl(oxan-4-yl)methanone
CID 79971303
N-[(4-methylsulfanyloxan-4-yl)methyl]-1,4-dithiane-2-carboxamide
CID 102554722
N-(3-propan-2-ylphenyl)-1,4-dithiane-2-carboxamide
CID 112765567
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,4-dithiane-2-carboxamide?
The IUPAC name of N-hydroxy-1,4-dithiane-2-carboxamide (CID 131102146) is N-hydroxy-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-hydroxy-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-hydroxy-1,4-dithiane-2-carboxamide is O=C(NO)C1CSCCS1.
What is the InChIKey of N-hydroxy-1,4-dithiane-2-carboxamide?
The InChIKey is MDHZVLKTLUTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S2/c7-5(6-8)4-3-9-1-2-10-4/h4,8H,1-3H2,(H,6,7).
What are the key properties of N-hydroxy-1,4-dithiane-2-carboxamide?
N-hydroxy-1,4-dithiane-2-carboxamide has a molecular weight of 179.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 131102146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).