N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide

C16H27N3O3S — CID 120895336

IUPACN-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(CCN)CCc2ccccc2)CC(C)O1
InChIInChI=1S/C16H27N3O3S/c1-14-12-19(13-15(2)22-14)23(20,21)18(11-9-17)10-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13,17H2,1-2H3
InChIKeyNFYCXNQVPMSJHR-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.84
Rot. Bonds7

About N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide

N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide (PubChem CID 120895336) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide
PubChem CID120895336
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(CCN)CCc2ccccc2)CC(C)O1
InChIInChI=1S/C16H27N3O3S/c1-14-12-19(13-15(2)22-14)23(20,21)18(11-9-17)10-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13,17H2,1-2H3
InChIKeyNFYCXNQVPMSJHR-UHFFFAOYSA-N
XLogP0.84
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide;hydrochloride
CID 120895335
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 62688438
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
CID 47958840
2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
CID 51331024
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
2-phenylethyl 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764337
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide (CID 120895336) is N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(CCN)CCc2ccccc2)CC(C)O1.
What is the InChIKey of N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide?
The InChIKey is NFYCXNQVPMSJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14-12-19(13-15(2)22-14)23(20,21)18(11-9-17)10-8-16-6-4-3-5-7-16/h3-7,14-15H,8-13,17H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide?
N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 120895336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).