3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine

C11H24N2OS — CID 103225478

IUPAC3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CCSCC1
InChIInChI=1S/C11H24N2OS/c1-10(2)12-8-11(9-14-3)13-4-6-15-7-5-13/h10-12H,4-9H2,1-3H3
InChIKeyDTWDSXCIHUCEPG-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.05
Rot. Bonds6

About 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine

3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 103225478) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID103225478
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CCSCC1
InChIInChI=1S/C11H24N2OS/c1-10(2)12-8-11(9-14-3)13-4-6-15-7-5-13/h10-12H,4-9H2,1-3H3
InChIKeyDTWDSXCIHUCEPG-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 103225065
3-methoxy-N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503291
3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 103227363
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226460
3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103225175
3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 103225740
3-methoxy-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propan-2-ylpropan-1-amine
CID 103227037
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
CID 147502598
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methoxypropyl]cyclopropanamine
CID 107456388
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
CID 83055159
2-(2,5-dimethylpiperidin-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226831
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine (CID 103225478) is 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine is COCC(CNC(C)C)N1CCSCC1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is DTWDSXCIHUCEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-10(2)12-8-11(9-14-3)13-4-6-15-7-5-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 103225478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).