(3R,4S)-4-methylsulfanyloxolan-3-amine

C5H11NOS — CID 97303608

IUPAC(3R,4S)-4-methylsulfanyloxolan-3-amine
SMILESCS[C@@H]1COC[C@H]1N
InChIInChI=1S/C5H11NOS/c1-8-5-3-7-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKeyPGEVHBGKXCWEJD-RFZPGFLSSA-N
MW133.22 g/mol
LogP0.08
Rot. Bonds1

About (3R,4S)-4-methylsulfanyloxolan-3-amine

(3R,4S)-4-methylsulfanyloxolan-3-amine (PubChem CID 97303608) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (3R,4S)-4-methylsulfanyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-methylsulfanyloxolan-3-amine
PubChem CID97303608
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(3R,4S)-4-methylsulfanyloxolan-3-amine
SMILESCS[C@@H]1COC[C@H]1N
InChIInChI=1S/C5H11NOS/c1-8-5-3-7-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKeyPGEVHBGKXCWEJD-RFZPGFLSSA-N
XLogP0.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
CID 139027088
4-aminooxolan-3-olate;rubidium(1+)
CID 142060066
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
CID 112661242
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride
CID 122235803
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
1,2-dimethyl-3-methylsulfanylcyclobutane
CID 123969276
5-methylsulfanyl-1,3-dioxane
CID 86187364
N-(4-aminooxolan-3-yl)acetamide
CID 130680289

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methylsulfanyloxolan-3-amine?
The IUPAC name of (3R,4S)-4-methylsulfanyloxolan-3-amine (CID 97303608) is (3R,4S)-4-methylsulfanyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-methylsulfanyloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-methylsulfanyloxolan-3-amine is CS[C@@H]1COC[C@H]1N.
What is the InChIKey of (3R,4S)-4-methylsulfanyloxolan-3-amine?
The InChIKey is PGEVHBGKXCWEJD-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NOS/c1-8-5-3-7-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3R,4S)-4-methylsulfanyloxolan-3-amine?
(3R,4S)-4-methylsulfanyloxolan-3-amine has a molecular weight of 133.22 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methylsulfanyloxolan-3-amine is sourced from PubChem (CID 97303608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).