(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol

C10H21NOS — CID 130162029

IUPAC(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCSC(C)(C)C1
InChIInChI=1S/C10H21NOS/c1-4-9(12)7-11-5-6-13-10(2,3)8-11/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyDUPGHMJFXSAIRK-SECBINFHSA-N
MW203.35 g/mol
LogP1.58
Rot. Bonds3

About (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol

(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol (PubChem CID 130162029) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
PubChem CID130162029
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCSC(C)(C)C1
InChIInChI=1S/C10H21NOS/c1-4-9(12)7-11-5-6-13-10(2,3)8-11/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyDUPGHMJFXSAIRK-SECBINFHSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
CID 171837241
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-ethoxypropan-2-ol
CID 107271968
2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
CID 126999480
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
CID 106801591
4-(2,2-dimethylthiomorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 104874800
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
CID 115773092
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
4-[3-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111930101
1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229275
1-(azonan-1-yl)butan-2-ol
CID 130671766

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol?
The IUPAC name of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol (CID 130162029) is (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol is CC[C@@H](O)CN1CCSC(C)(C)C1.
What is the InChIKey of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol?
The InChIKey is DUPGHMJFXSAIRK-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-9(12)7-11-5-6-13-10(2,3)8-11/h9,12H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol?
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol is sourced from PubChem (CID 130162029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).