N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane

C6H19NO2S — CID 170637276

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane
SMILESCC.CC(C)NS(C)(O)O
InChIInChI=1S/C4H13NO2S.C2H6/c1-4(2)5-8(3,6)7;1-2/h4-7H,1-3H3;1-2H3
InChIKeyHXLBCIFHUHXNPQ-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.31
Rot. Bonds2

About N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane

N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane (PubChem CID 170637276) has the molecular formula C6H19NO2S and a molecular weight of 169.29 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane
PubChem CID170637276
Molecular FormulaC6H19NO2S
Molecular Weight169.29 g/mol
Exact Mass169.11
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane
SMILESCC.CC(C)NS(C)(O)O
InChIInChI=1S/C4H13NO2S.C2H6/c1-4(2)5-8(3,6)7;1-2/h4-7H,1-3H3;1-2H3
InChIKeyHXLBCIFHUHXNPQ-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
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(methyl)-λ4-sulfanyl]propan-2-amine;ethane?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane (CID 170637276) is N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane is CC.CC(C)NS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane?
The InChIKey is HXLBCIFHUHXNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S.C2H6/c1-4(2)5-8(3,6)7;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane?
N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane has a molecular weight of 169.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine;ethane is sourced from PubChem (CID 170637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).