N-methyl-3-phosphanylsulfanylpropanamide

C4H10NOPS — CID 123504025

IUPACN-methyl-3-phosphanylsulfanylpropanamide
SMILESCNC(=O)CCSP
InChIInChI=1S/C4H10NOPS/c1-5-4(6)2-3-8-7/h2-3,7H2,1H3,(H,5,6)
InChIKeyWCKHNNQXKNXVOO-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.65
Rot. Bonds3

About N-methyl-3-phosphanylsulfanylpropanamide

N-methyl-3-phosphanylsulfanylpropanamide (PubChem CID 123504025) has the molecular formula C4H10NOPS and a molecular weight of 151.17 g/mol. Its IUPAC name is N-methyl-3-phosphanylsulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-3-phosphanylsulfanylpropanamide
PubChem CID123504025
Molecular FormulaC4H10NOPS
Molecular Weight151.17 g/mol
Exact Mass151.02
IUPAC NameN-methyl-3-phosphanylsulfanylpropanamide
SMILESCNC(=O)CCSP
InChIInChI=1S/C4H10NOPS/c1-5-4(6)2-3-8-7/h2-3,7H2,1H3,(H,5,6)
InChIKeyWCKHNNQXKNXVOO-UHFFFAOYSA-N
XLogP0.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
3-ethoxysulfanyl-N-methylpropanamide
CID 175326328
3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
CID 87376124
N,N'-dimethylheptanediamide
CID 15166696
[[2-[3-(methylamino)-3-oxopropyl]sulfanylacetyl]amino]iodanium
CID 146747636
3-(1-cyanoethylsulfanyl)-N-methylpropanamide
CID 131227678
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 62324056
3-bromo-N-methylpropanamide
CID 23033748
N-methyl-3-sulfanylpropanamide
CID 642906
3-[3-(methylamino)-3-oxopropyl]sulfanylbutanoic acid
CID 66139179
N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide
CID 18983747

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phosphanylsulfanylpropanamide?
The IUPAC name of N-methyl-3-phosphanylsulfanylpropanamide (CID 123504025) is N-methyl-3-phosphanylsulfanylpropanamide.
What is the SMILES notation for N-methyl-3-phosphanylsulfanylpropanamide?
The canonical SMILES for N-methyl-3-phosphanylsulfanylpropanamide is CNC(=O)CCSP.
What is the InChIKey of N-methyl-3-phosphanylsulfanylpropanamide?
The InChIKey is WCKHNNQXKNXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOPS/c1-5-4(6)2-3-8-7/h2-3,7H2,1H3,(H,5,6).
What are the key properties of N-methyl-3-phosphanylsulfanylpropanamide?
N-methyl-3-phosphanylsulfanylpropanamide has a molecular weight of 151.17 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phosphanylsulfanylpropanamide is sourced from PubChem (CID 123504025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).