(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C9H12N4O3S — CID 9143858

IUPAC(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Sc1nccc(=O)[nH]1
InChIInChI=1S/C9H12N4O3S/c1-5(7(15)13-8(16)10-2)17-9-11-4-3-6(14)12-9/h3-5H,1-2H3,(H,11,12,14)(H2,10,13,15,16)/t5-/m0/s1
InChIKeyZMEARHOKHYKCNX-YFKPBYRVSA-N
MW256.29 g/mol
LogP-0.29
Rot. Bonds3

About (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 9143858) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID9143858
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Sc1nccc(=O)[nH]1
InChIInChI=1S/C9H12N4O3S/c1-5(7(15)13-8(16)10-2)17-9-11-4-3-6(14)12-9/h3-5H,1-2H3,(H,11,12,14)(H2,10,13,15,16)/t5-/m0/s1
InChIKeyZMEARHOKHYKCNX-YFKPBYRVSA-N
XLogP-0.29
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 9143858) is (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is CNC(=O)NC(=O)[C@H](C)Sc1nccc(=O)[nH]1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is ZMEARHOKHYKCNX-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-5(7(15)13-8(16)10-2)17-9-11-4-3-6(14)12-9/h3-5H,1-2H3,(H,11,12,14)(H2,10,13,15,16)/t5-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
(2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 256.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 9143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).