5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine

C12H28N2S2 — CID 89220369

IUPAC5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine
SMILESCCCCC(NSC)C(CCCC)NSC
InChIInChI=1S/C12H28N2S2/c1-5-7-9-11(13-15-3)12(14-16-4)10-8-6-2/h11-14H,5-10H2,1-4H3
InChIKeyBIEKJGKWMPINGS-UHFFFAOYSA-N
MW264.50 g/mol
LogP3.84
Rot. Bonds11

About 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine

5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine (PubChem CID 89220369) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine
PubChem CID89220369
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC Name5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine
SMILESCCCCC(NSC)C(CCCC)NSC
InChIInChI=1S/C12H28N2S2/c1-5-7-9-11(13-15-3)12(14-16-4)10-8-6-2/h11-14H,5-10H2,1-4H3
InChIKeyBIEKJGKWMPINGS-UHFFFAOYSA-N
XLogP3.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine (CID 89220369) is 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine is CCCCC(NSC)C(CCCC)NSC.
What is the InChIKey of 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine?
The InChIKey is BIEKJGKWMPINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-5-7-9-11(13-15-3)12(14-16-4)10-8-6-2/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine?
5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine has a molecular weight of 264.50 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(methylsulfanyl)decane-5,6-diamine is sourced from PubChem (CID 89220369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).