2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide

C14H17N5O4S2 — CID 88956297

IUPAC2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C(C2)C3NS(=O)(=O)C2CC=CS2)nc1
InChIInChI=1S/C14H17N5O4S2/c20-13(17-21)8-4-15-14(16-5-8)19-6-9-10(7-19)12(9)18-25(22,23)11-2-1-3-24-11/h1,3-5,9-12,18,21H,2,6-7H2,(H,17,20)
InChIKeySKQOJORMPKFKSF-UHFFFAOYSA-N
MW383.46 g/mol
LogP-0.07
Rot. Bonds5

About 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide

2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 88956297) has the molecular formula C14H17N5O4S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID88956297
Molecular FormulaC14H17N5O4S2
Molecular Weight383.46 g/mol
Exact Mass383.07
IUPAC Name2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CC3C(C2)C3NS(=O)(=O)C2CC=CS2)nc1
InChIInChI=1S/C14H17N5O4S2/c20-13(17-21)8-4-15-14(16-5-8)19-6-9-10(7-19)12(9)18-25(22,23)11-2-1-3-24-11/h1,3-5,9-12,18,21H,2,6-7H2,(H,17,20)
InChIKeySKQOJORMPKFKSF-UHFFFAOYSA-N
XLogP-0.07
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-hydroxy-2-(6-piperidin-1-yl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidine-5-carboxamide
CID 59367642
N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367687
N-hydroxy-2-[6-(3-phenylbutylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367600
N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367667
N-hydroxy-2-[6-[[2-(1-methylindol-3-yl)acetyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367689
N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide
CID 98778833
N-hydroxy-2-[6-(quinolin-2-ylmethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 159523435
N-(oxan-2-yloxy)-2-[6-[[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]sulfonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 143330933
2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143666633
N-hydroxy-2-[(5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyrimidine-5-carboxamide
CID 162559235
2-[(3aS,6aR)-5-(4-phenoxybutanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52942121
2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride
CID 168994577

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide (CID 88956297) is 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CC3C(C2)C3NS(=O)(=O)C2CC=CS2)nc1.
What is the InChIKey of 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is SKQOJORMPKFKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S2/c20-13(17-21)8-4-15-14(16-5-8)19-6-9-10(7-19)12(9)18-25(22,23)11-2-1-3-24-11/h1,3-5,9-12,18,21H,2,6-7H2,(H,17,20).
What are the key properties of 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 383.46 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydrothiophen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 88956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).