N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine

C5H15NO2S — CID 170709314

IUPACN-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine
SMILESCCS(O)(O)NC(C)C
InChIInChI=1S/C5H15NO2S/c1-4-9(7,8)6-5(2)3/h5-8H,4H2,1-3H3
InChIKeyVHHSLTPLSRMHFX-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.67
Rot. Bonds3

About N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine

N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine (PubChem CID 170709314) has the molecular formula C5H15NO2S and a molecular weight of 153.25 g/mol. Its IUPAC name is N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine
PubChem CID170709314
Molecular FormulaC5H15NO2S
Molecular Weight153.25 g/mol
Exact Mass153.08
IUPAC NameN-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine
SMILESCCS(O)(O)NC(C)C
InChIInChI=1S/C5H15NO2S/c1-4-9(7,8)6-5(2)3/h5-8H,4H2,1-3H3
InChIKeyVHHSLTPLSRMHFX-UHFFFAOYSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
The IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine (CID 170709314) is N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine.
What is the SMILES notation for N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
The canonical SMILES for N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine is CCS(O)(O)NC(C)C.
What is the InChIKey of N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
The InChIKey is VHHSLTPLSRMHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO2S/c1-4-9(7,8)6-5(2)3/h5-8H,4H2,1-3H3.
What are the key properties of N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine has a molecular weight of 153.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(dihydroxy)-λ4-sulfanyl]propan-2-amine is sourced from PubChem (CID 170709314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).