N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine

C12H26N2O3S — CID 55258778

IUPACN-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)CCOCC)C1
InChIInChI=1S/C12H26N2O3S/c1-3-13-10-12-6-5-7-14(11-12)18(15,16)9-8-17-4-2/h12-13H,3-11H2,1-2H3
InChIKeyHBIQSRCVVDGHEC-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.67
Rot. Bonds8

About N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine

N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 55258778) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
PubChem CID55258778
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)CCOCC)C1
InChIInChI=1S/C12H26N2O3S/c1-3-13-10-12-6-5-7-14(11-12)18(15,16)9-8-17-4-2/h12-13H,3-11H2,1-2H3
InChIKeyHBIQSRCVVDGHEC-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.67
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-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302
2-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813767
N-(2-aminoethyl)-1-(2-ethoxyethylsulfonyl)piperidine-3-carboxamide
CID 63253090
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine (CID 55258778) is N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(S(=O)(=O)CCOCC)C1.
What is the InChIKey of N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is HBIQSRCVVDGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-13-10-12-6-5-7-14(11-12)18(15,16)9-8-17-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55258778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).