N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide

C10H13NOS4 — CID 59650840

IUPACN-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
SMILESCC(C(=O)N(C)c1ccccc1)S(=S)(=S)S
InChIInChI=1S/C10H13NOS4/c1-8(16(13,14)15)10(12)11(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15)
InChIKeyRYSOELPQZQCOMI-UHFFFAOYSA-N
MW291.49 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide

N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide (PubChem CID 59650840) has the molecular formula C10H13NOS4 and a molecular weight of 291.49 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
PubChem CID59650840
Molecular FormulaC10H13NOS4
Molecular Weight291.49 g/mol
Exact Mass290.99
IUPAC NameN-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
SMILESCC(C(=O)N(C)c1ccccc1)S(=S)(=S)S
InChIInChI=1S/C10H13NOS4/c1-8(16(13,14)15)10(12)11(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15)
InChIKeyRYSOELPQZQCOMI-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 51946875
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
CID 68882246
4-amino-N,2-dimethyl-N-phenyl-4-sulfanylidenebutanamide
CID 82116786
N-methyl-2-[methyl(methylsulfonyl)amino]-N,2-diphenylacetamide
CID 133224661
N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 42961420
4-[methyl(2-methylsulfonylpropanoyl)amino]benzoic acid
CID 104697933
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
2-butylsulfanyl-N-methyl-N-phenylpropanamide
CID 78762085
(2S)-N-methyl-2-[methyl(naphthalen-2-yl)amino]-N-phenylpropanamide
CID 8593153
3-amino-N-(4-hydroxyphenyl)-N,2-dimethyl-3-phenylpropanamide
CID 107734254

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide?
The IUPAC name of N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide (CID 59650840) is N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide.
What is the SMILES notation for N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide?
The canonical SMILES for N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide is CC(C(=O)N(C)c1ccccc1)S(=S)(=S)S.
What is the InChIKey of N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide?
The InChIKey is RYSOELPQZQCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS4/c1-8(16(13,14)15)10(12)11(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide?
N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide has a molecular weight of 291.49 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide is sourced from PubChem (CID 59650840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).