N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine

C12H25N3O3S — CID 63880145

IUPACN-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C12H25N3O3S/c1-2-13-10-12-4-3-5-15(11-12)19(16,17)14-6-8-18-9-7-14/h12-13H,2-11H2,1H3
InChIKeyZXZGHNGLZYAKNB-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.12
Rot. Bonds5

About N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine

N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine (PubChem CID 63880145) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
PubChem CID63880145
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C12H25N3O3S/c1-2-13-10-12-4-3-5-15(11-12)19(16,17)14-6-8-18-9-7-14/h12-13H,2-11H2,1H3
InChIKeyZXZGHNGLZYAKNB-UHFFFAOYSA-N
XLogP-0.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
2-(1-morpholin-4-ylsulfonylpiperidin-3-yl)ethanamine
CID 63765097
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 106317204
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106016707
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63877731

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine (CID 63880145) is N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine is CCNCC1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is ZXZGHNGLZYAKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-2-13-10-12-4-3-5-15(11-12)19(16,17)14-6-8-18-9-7-14/h12-13H,2-11H2,1H3.
What are the key properties of N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine?
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63880145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).