(dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate

C10H22N4S4 — CID 3706625

IUPAC(dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate
SMILESCN(C)CSC(=S)NCCNC(=S)SCN(C)C
InChIInChI=1S/C10H22N4S4/c1-13(2)7-17-9(15)11-5-6-12-10(16)18-8-14(3)4/h5-8H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyHNLLAJYRLSWGPA-UHFFFAOYSA-N
MW326.58 g/mol
LogP1.24
Rot. Bonds7

About (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate

(dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate (PubChem CID 3706625) has the molecular formula C10H22N4S4 and a molecular weight of 326.58 g/mol. Its IUPAC name is (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate.

Molecular Properties

Compound Name(dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate
PubChem CID3706625
Molecular FormulaC10H22N4S4
Molecular Weight326.58 g/mol
Exact Mass326.07
IUPAC Name(dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate
SMILESCN(C)CSC(=S)NCCNC(=S)SCN(C)C
InChIInChI=1S/C10H22N4S4/c1-13(2)7-17-9(15)11-5-6-12-10(16)18-8-14(3)4/h5-8H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyHNLLAJYRLSWGPA-UHFFFAOYSA-N
XLogP1.24
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate?
The IUPAC name of (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate (CID 3706625) is (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate.
What is the SMILES notation for (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate?
The canonical SMILES for (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate is CN(C)CSC(=S)NCCNC(=S)SCN(C)C.
What is the InChIKey of (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate?
The InChIKey is HNLLAJYRLSWGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4S4/c1-13(2)7-17-9(15)11-5-6-12-10(16)18-8-14(3)4/h5-8H2,1-4H3,(H,11,15)(H,12,16).
What are the key properties of (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate?
(dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate has a molecular weight of 326.58 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl N-[2-[(dimethylamino)methylsulfanylcarbothioylamino]ethyl]carbamodithioate is sourced from PubChem (CID 3706625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).