N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine

C6H15NO2S — CID 163492767

IUPACN-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESC=CS(O)(O)NCC(C)C
InChIInChI=1S/C6H15NO2S/c1-4-10(8,9)7-5-6(2)3/h4,6-9H,1,5H2,2-3H3
InChIKeyCOBFXKQTPDISMX-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.04
Rot. Bonds4

About N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine

N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine (PubChem CID 163492767) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine
PubChem CID163492767
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESC=CS(O)(O)NCC(C)C
InChIInChI=1S/C6H15NO2S/c1-4-10(8,9)7-5-6(2)3/h4,6-9H,1,5H2,2-3H3
InChIKeyCOBFXKQTPDISMX-UHFFFAOYSA-N
XLogP2.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
The IUPAC name of N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine (CID 163492767) is N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine is C=CS(O)(O)NCC(C)C.
What is the InChIKey of N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
The InChIKey is COBFXKQTPDISMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-10(8,9)7-5-6(2)3/h4,6-9H,1,5H2,2-3H3.
What are the key properties of N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine has a molecular weight of 165.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine is sourced from PubChem (CID 163492767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).