N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane

C7H22N2O2S — CID 176938206

IUPACN-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane
SMILESCC.CC(C)NS(O)(O)CCN
InChIInChI=1S/C5H16N2O2S.C2H6/c1-5(2)7-10(8,9)4-3-6;1-2/h5,7-9H,3-4,6H2,1-2H3;1-2H3
InChIKeyRBOVVZHQXSFJOK-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.63
Rot. Bonds4

About N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane

N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane (PubChem CID 176938206) has the molecular formula C7H22N2O2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane.

Molecular Properties

Compound NameN-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane
PubChem CID176938206
Molecular FormulaC7H22N2O2S
Molecular Weight198.33 g/mol
Exact Mass198.14
IUPAC NameN-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane
SMILESCC.CC(C)NS(O)(O)CCN
InChIInChI=1S/C5H16N2O2S.C2H6/c1-5(2)7-10(8,9)4-3-6;1-2/h5,7-9H,3-4,6H2,1-2H3;1-2H3
InChIKeyRBOVVZHQXSFJOK-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane?
The IUPAC name of N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane (CID 176938206) is N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane.
What is the SMILES notation for N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane?
The canonical SMILES for N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane is CC.CC(C)NS(O)(O)CCN.
What is the InChIKey of N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane?
The InChIKey is RBOVVZHQXSFJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N2O2S.C2H6/c1-5(2)7-10(8,9)4-3-6;1-2/h5,7-9H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane?
N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane has a molecular weight of 198.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-aminoethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine;ethane is sourced from PubChem (CID 176938206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).