(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide

C6H11N3O3S — CID 89275978

IUPAC(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
SMILESCNC(=O)[C@H](CSN=O)NC(C)=O
InChIInChI=1S/C6H11N3O3S/c1-4(10)8-5(3-13-9-12)6(11)7-2/h5H,3H2,1-2H3,(H,7,11)(H,8,10)/t5-/m0/s1
InChIKeyZCLPNRYVXJTFPK-YFKPBYRVSA-N
MW205.24 g/mol
LogP-0.35
Rot. Bonds5

About (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide

(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide (PubChem CID 89275978) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
PubChem CID89275978
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
SMILESCNC(=O)[C@H](CSN=O)NC(C)=O
InChIInChI=1S/C6H11N3O3S/c1-4(10)8-5(3-13-9-12)6(11)7-2/h5H,3H2,1-2H3,(H,7,11)(H,8,10)/t5-/m0/s1
InChIKeyZCLPNRYVXJTFPK-YFKPBYRVSA-N
XLogP-0.35
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
amino 2-acetamido-3-nitrososulfanylpropanoate
CID 142714274
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
CID 130374120
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
(2R)-2-acetamido-3-nitrososulfanyl-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 156615456
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
(3S)-3-acetamido-4-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 134578735
(E)-N-[2-[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylethyl]but-2-enamide
CID 146634485
[3-acetamido-4-(methylamino)-4-oxobutyl]-methyl-oxophosphanium
CID 72538863
N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 89011469
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide (CID 89275978) is (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide is CNC(=O)[C@H](CSN=O)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide?
The InChIKey is ZCLPNRYVXJTFPK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-4(10)8-5(3-13-9-12)6(11)7-2/h5H,3H2,1-2H3,(H,7,11)(H,8,10)/t5-/m0/s1.
What are the key properties of (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide?
(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide has a molecular weight of 205.24 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide is sourced from PubChem (CID 89275978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).