3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide

C19H27N3O3S — CID 118724844

IUPAC3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCN1CCOCC1)NCCNc1cccc2ccccc12
InChIInChI=1S/C19H27N3O3S/c23-26(24,16-4-11-22-12-14-25-15-13-22)21-10-9-20-19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20-21H,4,9-16H2
InChIKeyKSAMZRQJZKYPSO-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.89
Rot. Bonds9

About 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide

3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide (PubChem CID 118724844) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
PubChem CID118724844
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCN1CCOCC1)NCCNc1cccc2ccccc12
InChIInChI=1S/C19H27N3O3S/c23-26(24,16-4-11-22-12-14-25-15-13-22)21-10-9-20-19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20-21H,4,9-16H2
InChIKeyKSAMZRQJZKYPSO-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide
CID 118724842
N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1-sulfonamide
CID 118724852
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
CID 118724860
3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
CID 3830487
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
N-[2-(naphthalen-1-ylamino)ethyl]-3-(1-phenylethylamino)propane-1-sulfonamide
CID 118724848
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
N-(morpholin-4-ylmethyl)naphthalen-1-amine;N-(morpholin-4-ylmethyl)naphthalen-2-amine
CID 54485022
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide (CID 118724844) is 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide is O=S(=O)(CCCN1CCOCC1)NCCNc1cccc2ccccc12.
What is the InChIKey of 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide?
The InChIKey is KSAMZRQJZKYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-26(24,16-4-11-22-12-14-25-15-13-22)21-10-9-20-19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20-21H,4,9-16H2.
What are the key properties of 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide?
3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 118724844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).