2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine

C13H28N2O3S — CID 103710582

IUPAC2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
SMILESCCN1CCOC(CNCCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C13H28N2O3S/c1-5-15-7-8-18-12(11-15)10-14-6-9-19(16,17)13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyOUTAWBPIRDNDPR-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.51
Rot. Bonds6

About 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine

2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine (PubChem CID 103710582) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
PubChem CID103710582
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
SMILESCCN1CCOC(CNCCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C13H28N2O3S/c1-5-15-7-8-18-12(11-15)10-14-6-9-19(16,17)13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyOUTAWBPIRDNDPR-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 106085709
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine (CID 103710582) is 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine is CCN1CCOC(CNCCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is OUTAWBPIRDNDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-5-15-7-8-18-12(11-15)10-14-6-9-19(16,17)13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 292.44 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 103710582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).