3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine

C9H20N2O3S — CID 81187926

IUPAC3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine
SMILESCN1CCOC(CS(=O)(=O)CCCN)C1
InChIInChI=1S/C9H20N2O3S/c1-11-4-5-14-9(7-11)8-15(12,13)6-2-3-10/h9H,2-8,10H2,1H3
InChIKeyUMYTWGWOQPIENP-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.92
Rot. Bonds5

About 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine

3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine (PubChem CID 81187926) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine
PubChem CID81187926
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine
SMILESCN1CCOC(CS(=O)(=O)CCCN)C1
InChIInChI=1S/C9H20N2O3S/c1-11-4-5-14-9(7-11)8-15(12,13)6-2-3-10/h9H,2-8,10H2,1H3
InChIKeyUMYTWGWOQPIENP-UHFFFAOYSA-N
XLogP-0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate
CID 79171422
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
imino-methyl-[2-(4-methylmorpholin-2-yl)ethyl]-oxo-λ6-sulfane
CID 176694081
N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
N'-cyclopropyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172178
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
N'-cyclopentyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79172179

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine (CID 81187926) is 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine is CN1CCOC(CS(=O)(=O)CCCN)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine?
The InChIKey is UMYTWGWOQPIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-11-4-5-14-9(7-11)8-15(12,13)6-2-3-10/h9H,2-8,10H2,1H3.
What are the key properties of 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine?
3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of -0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine is sourced from PubChem (CID 81187926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).