N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide

C5H11N3O2S — CID 123221245

IUPACN-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
SMILESCNC(=O)C(CSN=O)NC
InChIInChI=1S/C5H11N3O2S/c1-6-4(3-11-8-10)5(9)7-2/h4,6H,3H2,1-2H3,(H,7,9)
InChIKeyWDMNZYNEPDEVQI-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.26
Rot. Bonds5

About N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide

N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide (PubChem CID 123221245) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
PubChem CID123221245
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC NameN-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
SMILESCNC(=O)C(CSN=O)NC
InChIInChI=1S/C5H11N3O2S/c1-6-4(3-11-8-10)5(9)7-2/h4,6H,3H2,1-2H3,(H,7,9)
InChIKeyWDMNZYNEPDEVQI-UHFFFAOYSA-N
XLogP-0.26
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.26
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

(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
CID 89275978
3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
CID 165386764
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
4-hydroxy-N-methyl-2-(methylamino)butanamide
CID 15486716
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
amino 2-acetamido-3-nitrososulfanylpropanoate
CID 142714274
4-methyl-1-nitrososulfanyl-2-(propan-2-ylamino)pentan-3-one;4-methyl-2-(propan-2-ylamino)-1-sulfanylpentan-3-one
CID 160866076
N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 89011469
(2R,3R)-1,4-bis(nitrososulfanyl)butane-2,3-diol
CID 100919953
S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
CID 171639060
CID 171639060

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide?
The IUPAC name of N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide (CID 123221245) is N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide.
What is the SMILES notation for N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide?
The canonical SMILES for N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide is CNC(=O)C(CSN=O)NC.
What is the InChIKey of N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide?
The InChIKey is WDMNZYNEPDEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-6-4(3-11-8-10)5(9)7-2/h4,6H,3H2,1-2H3,(H,7,9).
What are the key properties of N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide?
N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide has a molecular weight of 177.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide is sourced from PubChem (CID 123221245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).