2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide

C10H19N3O4S — CID 63923344

IUPAC2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H19N3O4S/c1-7(9(14)13-10(15)11-2)12-8-4-3-5-18(16,17)6-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyPUJUNRJLFSCZQT-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.00
Rot. Bonds3

About 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide

2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 63923344) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID63923344
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H19N3O4S/c1-7(9(14)13-10(15)11-2)12-8-4-3-5-18(16,17)6-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14,15)
InChIKeyPUJUNRJLFSCZQT-UHFFFAOYSA-N
XLogP-1.00
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
CID 63924534
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81392646
3-[(1,1-dioxothian-3-yl)amino]-2-methylbutan-1-ol
CID 115901106
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869
methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide (CID 63923344) is 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is PUJUNRJLFSCZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-7(9(14)13-10(15)11-2)12-8-4-3-5-18(16,17)6-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14,15).
What are the key properties of 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide?
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 277.35 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63923344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).