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

C6H17NO2S — CID 144580599

IUPACN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(O)(O)C(C)C
InChIInChI=1S/C6H17NO2S/c1-5(2)7-10(8,9)6(3)4/h5-9H,1-4H3
InChIKeyHXFPSYPZOYTWER-UHFFFAOYSA-N
MW167.27 g/mol
LogP2.06
Rot. Bonds3

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

N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine (PubChem CID 144580599) has the molecular formula C6H17NO2S and a molecular weight of 167.27 g/mol. Its IUPAC name is N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine
PubChem CID144580599
Molecular FormulaC6H17NO2S
Molecular Weight167.27 g/mol
Exact Mass167.10
IUPAC NameN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(O)(O)C(C)C
InChIInChI=1S/C6H17NO2S/c1-5(2)7-10(8,9)6(3)4/h5-9H,1-4H3
InChIKeyHXFPSYPZOYTWER-UHFFFAOYSA-N
XLogP2.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 52.06
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]propan-2-amine?
The IUPAC name of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine (CID 144580599) is N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine.
What is the SMILES notation for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine?
The canonical SMILES for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine is CC(C)NS(O)(O)C(C)C.
What is the InChIKey of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine?
The InChIKey is HXFPSYPZOYTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO2S/c1-5(2)7-10(8,9)6(3)4/h5-9H,1-4H3.
What are the key properties of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine?
N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]propan-2-amine has a molecular weight of 167.27 g/mol, XLogP of 2.06, 3 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]propan-2-amine is sourced from PubChem (CID 144580599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).