N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine

C15H24N2O3S — CID 60872840

IUPACN-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
SMILESCCNC(CC)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-15(16-4-2)13-6-5-7-14(12-13)21(18,19)17-8-10-20-11-9-17/h5-7,12,15-16H,3-4,8-11H2,1-2H3
InChIKeyWXNIBVTZRUMFFV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.77
Rot. Bonds6

About N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine

N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine (PubChem CID 60872840) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
PubChem CID60872840
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
SMILESCCNC(CC)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-15(16-4-2)13-6-5-7-14(12-13)21(18,19)17-8-10-20-11-9-17/h5-7,12,15-16H,3-4,8-11H2,1-2H3
InChIKeyWXNIBVTZRUMFFV-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[4-[(2R)-butan-2-yl]phenyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 27087813
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine (CID 60872840) is N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine is CCNC(CC)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine?
The InChIKey is WXNIBVTZRUMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-15(16-4-2)13-6-5-7-14(12-13)21(18,19)17-8-10-20-11-9-17/h5-7,12,15-16H,3-4,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine?
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine has a molecular weight of 312.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 60872840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).