N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide

C12H26N4O2S4 — CID 21150783

IUPACN,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide
SMILESCN(C)CCCSSNC(=O)C(=O)NSSCCCN(C)C
InChIInChI=1S/C12H26N4O2S4/c1-15(2)7-5-9-19-21-13-11(17)12(18)14-22-20-10-6-8-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyBCXSNULCPMAWQV-UHFFFAOYSA-N
MW386.63 g/mol
LogP1.72
Rot. Bonds12

About N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide

N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide (PubChem CID 21150783) has the molecular formula C12H26N4O2S4 and a molecular weight of 386.63 g/mol. Its IUPAC name is N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide
PubChem CID21150783
Molecular FormulaC12H26N4O2S4
Molecular Weight386.63 g/mol
Exact Mass386.09
IUPAC NameN,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide
SMILESCN(C)CCCSSNC(=O)C(=O)NSSCCCN(C)C
InChIInChI=1S/C12H26N4O2S4/c1-15(2)7-5-9-19-21-13-11(17)12(18)14-22-20-10-6-8-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyBCXSNULCPMAWQV-UHFFFAOYSA-N
XLogP1.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)propylsulfanylurea
CID 174340233
3-[3-(dimethylamino)propylsulfanyl]-2-methylpropanoic acid
CID 114524661
4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride
CID 142449725
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
CID 21133537
6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
CID 139749120
N-[3-(dimethylamino)propyl]-3-(methyldisulfanyl)propanamide
CID 89390385
S-[2-(dimethylamino)ethyl] 3-oxobutanethioate
CID 20664905
4-[[3-carboxy-3-[13-(dimethylamino)tridecanoylamino]propyl]disulfanyl]-2-[13-(dimethylamino)tridecanoylamino]butanoic acid
CID 89495879
4-[[3-carboxy-3-[10-(dimethylamino)decanoylamino]propyl]disulfanyl]-2-[10-(dimethylamino)decanoylamino]butanoic acid
CID 89495878
2-[3-(dimethylamino)propylsulfanyl]ethyl acetate
CID 165003519
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N'-[3-(dimethylamino)propyl]-N,N'-dimethyloxamide
CID 154666633

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide?
The IUPAC name of N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide (CID 21150783) is N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide.
What is the SMILES notation for N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide?
The canonical SMILES for N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide is CN(C)CCCSSNC(=O)C(=O)NSSCCCN(C)C.
What is the InChIKey of N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide?
The InChIKey is BCXSNULCPMAWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S4/c1-15(2)7-5-9-19-21-13-11(17)12(18)14-22-20-10-6-8-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide?
N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide has a molecular weight of 386.63 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dimethylamino)propyldisulfanyl]oxamide is sourced from PubChem (CID 21150783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).