N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide

C6H12N2O2S2 — CID 87982217

IUPACN,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide
SMILESCN(S)C(=O)CCC(=O)N(C)S
InChIInChI=1S/C6H12N2O2S2/c1-7(11)5(9)3-4-6(10)8(2)12/h11-12H,3-4H2,1-2H3
InChIKeyBTNDPUKPTJSCSU-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.37
Rot. Bonds3

About N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide

N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide (PubChem CID 87982217) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide
PubChem CID87982217
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC NameN,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide
SMILESCN(S)C(=O)CCC(=O)N(C)S
InChIInChI=1S/C6H12N2O2S2/c1-7(11)5(9)3-4-6(10)8(2)12/h11-12H,3-4H2,1-2H3
InChIKeyBTNDPUKPTJSCSU-UHFFFAOYSA-N
XLogP0.37
TPSA40.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide?
The IUPAC name of N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide (CID 87982217) is N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide is CN(S)C(=O)CCC(=O)N(C)S.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide?
The InChIKey is BTNDPUKPTJSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-7(11)5(9)3-4-6(10)8(2)12/h11-12H,3-4H2,1-2H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide?
N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide has a molecular weight of 208.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(sulfanyl)butanediamide is sourced from PubChem (CID 87982217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).