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

C7H19NO2S — CID 153397617

IUPACN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESCC(C)CNS(O)(O)C(C)C
InChIInChI=1S/C7H19NO2S/c1-6(2)5-8-11(9,10)7(3)4/h6-10H,5H2,1-4H3
InChIKeyXWCSJLSQVXYXBW-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.31
Rot. Bonds4

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

N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine (PubChem CID 153397617) has the molecular formula C7H19NO2S and a molecular weight of 181.30 g/mol. Its IUPAC name is N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine
PubChem CID153397617
Molecular FormulaC7H19NO2S
Molecular Weight181.30 g/mol
Exact Mass181.11
IUPAC NameN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESCC(C)CNS(O)(O)C(C)C
InChIInChI=1S/C7H19NO2S/c1-6(2)5-8-11(9,10)7(3)4/h6-10H,5H2,1-4H3
InChIKeyXWCSJLSQVXYXBW-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine?
The IUPAC name of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine (CID 153397617) is N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine is CC(C)CNS(O)(O)C(C)C.
What is the InChIKey of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine?
The InChIKey is XWCSJLSQVXYXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO2S/c1-6(2)5-8-11(9,10)7(3)4/h6-10H,5H2,1-4H3.
What are the key properties of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine?
N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylpropan-1-amine is sourced from PubChem (CID 153397617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).