2,2-dimethyl-4-(3-methylbutyl)thiomorpholine

C11H23NS — CID 130726719

IUPAC2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
SMILESCC(C)CCN1CCSC(C)(C)C1
InChIInChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyUUAKWGAEFNFSOZ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine

2,2-dimethyl-4-(3-methylbutyl)thiomorpholine (PubChem CID 130726719) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
PubChem CID130726719
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
SMILESCC(C)CCN1CCSC(C)(C)C1
InChIInChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyUUAKWGAEFNFSOZ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine 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

2,2-Dimethyl-4-(pent-4-yn-1-yl)thiomorpholine
CID 115873226
4-(But-3-yn-1-yl)-2-(propan-2-yl)thiomorpholine
CID 139026621
4-Butylthiomorpholine
CID 12517933
4-(2-Methylpentyl)thiomorpholine
CID 134994483
4-(3-Fluoropropyl)-2,2-dimethylthiomorpholine
CID 126995601
3-Fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
CID 126995983
4-(2,2-Difluoroethyl)-2-propan-2-ylthiomorpholine
CID 127000260
4-(3-Fluorobutyl)-2,2-dimethylthiomorpholine
CID 128361709
4-[(1-Fluorocyclopropyl)methyl]-2-methylthiomorpholine
CID 130659309
4-(2-Fluorobutyl)-2,6-dimethylthiomorpholine
CID 131067271
4-(3-Fluorobutyl)-2-methylthiomorpholine
CID 131155155
4-(4-Fluorobutyl)-2,2-dimethylthiomorpholine
CID 154703723

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
The IUPAC name of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine (CID 130726719) is 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine is CC(C)CCN1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
The InChIKey is UUAKWGAEFNFSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
2,2-dimethyl-4-(3-methylbutyl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine is sourced from PubChem (CID 130726719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).