2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine

C12H26N2S — CID 103462147

IUPAC2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
SMILESCCC(C)(C)CNCCC1CSCCN1
InChIInChI=1S/C12H26N2S/c1-4-12(2,3)10-13-6-5-11-9-15-8-7-14-11/h11,13-14H,4-10H2,1-3H3
InChIKeyJEOXLENNVMIOMG-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.11
Rot. Bonds6

About 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine

2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine (PubChem CID 103462147) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
PubChem CID103462147
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
SMILESCCC(C)(C)CNCCC1CSCCN1
InChIInChI=1S/C12H26N2S/c1-4-12(2,3)10-13-6-5-11-9-15-8-7-14-11/h11,13-14H,4-10H2,1-3H3
InChIKeyJEOXLENNVMIOMG-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 106294061
2,2-dimethyl-N-(2-morpholin-3-ylethyl)butan-1-amine
CID 103462305
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2-thiomorpholin-3-ylethyl)heptan-2-amine
CID 66422759

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine (CID 103462147) is 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine is CCC(C)(C)CNCCC1CSCCN1.
What is the InChIKey of 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
The InChIKey is JEOXLENNVMIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-12(2,3)10-13-6-5-11-9-15-8-7-14-11/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine is sourced from PubChem (CID 103462147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).