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

C7H19NO2S — CID 145161152

IUPACN-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(O)(O)C(C)(C)C
InChIInChI=1S/C7H19NO2S/c1-6(2)8-11(9,10)7(3,4)5/h6,8-10H,1-5H3
InChIKeyAFJUEPAHXQXPTD-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.45
Rot. Bonds2

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

N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine (PubChem CID 145161152) has the molecular formula C7H19NO2S and a molecular weight of 181.30 g/mol. Its IUPAC name is N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine
PubChem CID145161152
Molecular FormulaC7H19NO2S
Molecular Weight181.30 g/mol
Exact Mass181.11
IUPAC NameN-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(O)(O)C(C)(C)C
InChIInChI=1S/C7H19NO2S/c1-6(2)8-11(9,10)7(3,4)5/h6,8-10H,1-5H3
InChIKeyAFJUEPAHXQXPTD-UHFFFAOYSA-N
XLogP2.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-2-amine
CID 123548608
4-[Amino(dihydroxy)-lambda4-sulfanyl]butan-2-amine
CID 142529596
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]propan-2-amine
CID 144580599
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-2-amine
CID 153397461
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 153397617
Tert-butyl-hydroxy-(propan-2-ylamino)sulfanium
CID 163645691
N-[ethyl(dihydroxy)-lambda4-sulfanyl]butan-2-amine
CID 164079094
N-[ethyl(dihydroxy)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 170610211
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-2-amine;ethane
CID 170637276
N-[ethyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 170709314
N-(ethyl-hydroxy-methoxy-lambda4-sulfanyl)propan-2-amine
CID 172331625
N-[2-aminoethyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine;ethane
CID 176938206

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
The IUPAC name of N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine (CID 145161152) is N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine.
What is the SMILES notation for N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
The canonical SMILES for N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine is CC(C)NS(O)(O)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
The InChIKey is AFJUEPAHXQXPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO2S/c1-6(2)8-11(9,10)7(3,4)5/h6,8-10H,1-5H3.
What are the key properties of N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine?
N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine has a molecular weight of 181.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dihydroxy)-λ4-sulfanyl]propan-2-amine is sourced from PubChem (CID 145161152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).