2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane

C7H22N2O2S — CID 144965918

IUPAC2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane
SMILESCC.CNS(O)(O)CCN(C)C
InChIInChI=1S/C5H16N2O2S.C2H6/c1-6-10(8,9)5-4-7(2)3;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3
InChIKeyFDADPFLAFCCRSN-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.46
Rot. Bonds4

About 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane

2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane (PubChem CID 144965918) has the molecular formula C7H22N2O2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane.

Molecular Properties

Compound Name2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane
PubChem CID144965918
Molecular FormulaC7H22N2O2S
Molecular Weight198.33 g/mol
Exact Mass198.14
IUPAC Name2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane
SMILESCC.CNS(O)(O)CCN(C)C
InChIInChI=1S/C5H16N2O2S.C2H6/c1-6-10(8,9)5-4-7(2)3;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3
InChIKeyFDADPFLAFCCRSN-UHFFFAOYSA-N
XLogP1.46
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane?
The IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane (CID 144965918) is 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane.
What is the SMILES notation for 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane?
The canonical SMILES for 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane is CC.CNS(O)(O)CCN(C)C.
What is the InChIKey of 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane?
The InChIKey is FDADPFLAFCCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N2O2S.C2H6/c1-6-10(8,9)5-4-7(2)3;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3.
What are the key properties of 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane?
2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane has a molecular weight of 198.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methylamino)-λ4-sulfanyl]-N,N-dimethylethanamine;ethane is sourced from PubChem (CID 144965918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).