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

C6H17NO2S — CID 170610211

IUPACN-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESCCS(O)(O)NCC(C)C
InChIInChI=1S/C6H17NO2S/c1-4-10(8,9)7-5-6(2)3/h6-9H,4-5H2,1-3H3
InChIKeyONDVKVVZPKOCSA-UHFFFAOYSA-N
MW167.27 g/mol
LogP1.92
Rot. Bonds4

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

N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine (PubChem CID 170610211) has the molecular formula C6H17NO2S and a molecular weight of 167.27 g/mol. Its IUPAC name is N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine
PubChem CID170610211
Molecular FormulaC6H17NO2S
Molecular Weight167.27 g/mol
Exact Mass167.10
IUPAC NameN-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESCCS(O)(O)NCC(C)C
InChIInChI=1S/C6H17NO2S/c1-4-10(8,9)7-5-6(2)3/h6-9H,4-5H2,1-3H3
InChIKeyONDVKVVZPKOCSA-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[hydroxy-(2-methylpropylidene)-oxo-lambda6-sulfanyl]ethanamine
CID 56995752
2-methyl-N-propylpropane-1-sulfinamide
CID 121353538
N-(2-methylpropyl)propane-2-sulfinamide
CID 130844442
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
2-Methyl-3-(trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 142899686
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane;molecular hydrogen
CID 144268144
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]propan-2-amine
CID 144580599
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine;ethane
CID 144965893
N-[tert-butyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 145161152
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-1-amine
CID 153329727
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-2-amine
CID 153397461
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 153397617

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
The IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine (CID 170610211) is N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine is CCS(O)(O)NCC(C)C.
What is the InChIKey of N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
The InChIKey is ONDVKVVZPKOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO2S/c1-4-10(8,9)7-5-6(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine?
N-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methylpropan-1-amine has a molecular weight of 167.27 g/mol, XLogP of 1.92, 4 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]-2-methylpropan-1-amine is sourced from PubChem (CID 170610211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).