3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine

C12H26N2OS — CID 106324630

IUPAC3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
SMILESCOC(C)(C)CCNCCN1CCSCC1
InChIInChI=1S/C12H26N2OS/c1-12(2,15-3)4-5-13-6-7-14-8-10-16-11-9-14/h13H,4-11H2,1-3H3
InChIKeyBFQCJPSOBRXYSV-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.44
Rot. Bonds7

About 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine

3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine (PubChem CID 106324630) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
PubChem CID106324630
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
SMILESCOC(C)(C)CCNCCN1CCSCC1
InChIInChI=1S/C12H26N2OS/c1-12(2,15-3)4-5-13-6-7-14-8-10-16-11-9-14/h13H,4-11H2,1-3H3
InChIKeyBFQCJPSOBRXYSV-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
4,4-dimethyl-5-(2-thiomorpholin-4-ylethylamino)pentanenitrile
CID 103699415
N-ethyl-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419848
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 61386591
3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325237
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242
3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 107095351

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine (CID 106324630) is 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine is COC(C)(C)CCNCCN1CCSCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
The InChIKey is BFQCJPSOBRXYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-12(2,15-3)4-5-13-6-7-14-8-10-16-11-9-14/h13H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine?
3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 106324630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).