2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol

C12H25NO2S — CID 107764612

IUPAC2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
SMILESCNC(C)(CO)CC(C)SC1CCOC1C
InChIInChI=1S/C12H25NO2S/c1-9(7-12(3,8-14)13-4)16-11-5-6-15-10(11)2/h9-11,13-14H,5-8H2,1-4H3
InChIKeyMTINRKWHWHQMLG-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol

2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol (PubChem CID 107764612) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
PubChem CID107764612
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
SMILESCNC(C)(CO)CC(C)SC1CCOC1C
InChIInChI=1S/C12H25NO2S/c1-9(7-12(3,8-14)13-4)16-11-5-6-15-10(11)2/h9-11,13-14H,5-8H2,1-4H3
InChIKeyMTINRKWHWHQMLG-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol (CID 107764612) is 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol is CNC(C)(CO)CC(C)SC1CCOC1C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol?
The InChIKey is MTINRKWHWHQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(7-12(3,8-14)13-4)16-11-5-6-15-10(11)2/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol?
2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol has a molecular weight of 247.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 107764612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).