3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol

C10H21NOS — CID 115873173

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CC(C)SC(C)C1
InChIInChI=1S/C10H21NOS/c1-8(7-12)4-11-5-9(2)13-10(3)6-11/h8-10,12H,4-7H2,1-3H3
InChIKeyBBEIZYZFVMYALF-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.44
Rot. Bonds3

About 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol

3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol (PubChem CID 115873173) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
PubChem CID115873173
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol
SMILESCC(CO)CN1CC(C)SC(C)C1
InChIInChI=1S/C10H21NOS/c1-8(7-12)4-11-5-9(2)13-10(3)6-11/h8-10,12H,4-7H2,1-3H3
InChIKeyBBEIZYZFVMYALF-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682241
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine
CID 65233273
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
CID 104977369
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
1-cyclopentyl-3-(2,6-dimethylthiomorpholin-4-yl)propan-2-ol
CID 103160060
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66454350
4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylthiomorpholine
CID 64759172
3-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-ol
CID 102683276
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
3-(5-azaspiro[2.3]hexan-5-yl)-2-methylpropan-1-ol
CID 104549778
3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872983

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol (CID 115873173) is 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol is CC(CO)CN1CC(C)SC(C)C1.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol?
The InChIKey is BBEIZYZFVMYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(7-12)4-11-5-9(2)13-10(3)6-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol?
3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 115873173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).