2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide

C12H16N4O4S — CID 51716988

IUPAC2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide
SMILESO=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1
InChIInChI=1S/C12H16N4O4S/c17-11(15-9-2-1-4-13-6-9)7-14-12(18)16-10-3-5-21(19,20)8-10/h1-2,4,6,10H,3,5,7-8H2,(H,15,17)(H2,14,16,18)/t10-/m1/s1
InChIKeyHRUIAPLYTZQCAN-SNVBAGLBSA-N
MW312.35 g/mol
LogP-0.49
Rot. Bonds4

About 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide

2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide (PubChem CID 51716988) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide
PubChem CID51716988
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide
SMILESO=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1
InChIInChI=1S/C12H16N4O4S/c17-11(15-9-2-1-4-13-6-9)7-14-12(18)16-10-3-5-21(19,20)8-10/h1-2,4,6,10H,3,5,7-8H2,(H,15,17)(H2,14,16,18)/t10-/m1/s1
InChIKeyHRUIAPLYTZQCAN-SNVBAGLBSA-N
XLogP-0.49
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51720350
N-(3-acetylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51718598
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42655880
N-(1,1-dioxothiolan-3-yl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023628
N-[4-[(1,1-dioxothiolan-3-yl)carbamoylamino]phenyl]propanamide
CID 102566392
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 119871387
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 39310298
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51721755
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide (CID 51716988) is 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide is O=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccnc1.
What is the InChIKey of 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide?
The InChIKey is HRUIAPLYTZQCAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O4S/c17-11(15-9-2-1-4-13-6-9)7-14-12(18)16-10-3-5-21(19,20)8-10/h1-2,4,6,10H,3,5,7-8H2,(H,15,17)(H2,14,16,18)/t10-/m1/s1.
What are the key properties of 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide?
2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide has a molecular weight of 312.35 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 51716988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).