2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine

C11H26N2O2S — CID 60709847

IUPAC2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)CCSC
InChIInChI=1S/C11H26N2O2S/c1-14-7-5-13(6-8-15-2)11(10-12)4-9-16-3/h11H,4-10,12H2,1-3H3
InChIKeyQKYLYZKQAJXWFM-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.66
Rot. Bonds11

About 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine

2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (PubChem CID 60709847) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
PubChem CID60709847
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)CCSC
InChIInChI=1S/C11H26N2O2S/c1-14-7-5-13(6-8-15-2)11(10-12)4-9-16-3/h11H,4-10,12H2,1-3H3
InChIKeyQKYLYZKQAJXWFM-UHFFFAOYSA-N
XLogP0.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (CID 60709847) is 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is COCCN(CCOC)C(CN)CCSC.
What is the InChIKey of 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is QKYLYZKQAJXWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-14-7-5-13(6-8-15-2)11(10-12)4-9-16-3/h11H,4-10,12H2,1-3H3.
What are the key properties of 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 60709847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).