4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine

C25H28N2O4S2 — CID 71577863

IUPAC4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCSc2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C25H28N2O4S2/c28-33(29,23-8-6-20-4-1-2-5-21(20)18-23)27-13-17-32-25-9-7-22(19-24(25)27)31-14-3-10-26-11-15-30-16-12-26/h1-2,4-9,18-19H,3,10-17H2
InChIKeyRBHDKBZSAMRGIR-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.24
Rot. Bonds7

About 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine

4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine (PubChem CID 71577863) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine
PubChem CID71577863
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCSc2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C25H28N2O4S2/c28-33(29,23-8-6-20-4-1-2-5-21(20)18-23)27-13-17-32-25-9-7-22(19-24(25)27)31-14-3-10-26-11-15-30-16-12-26/h1-2,4-9,18-19H,3,10-17H2
InChIKeyRBHDKBZSAMRGIR-UHFFFAOYSA-N
XLogP4.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine-3-thione
CID 71577941
6-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 71576848
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
[6-(3-morpholin-4-ylpropoxy)naphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69069513
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[4-(1-benzothiophen-6-yloxy)butyl]morpholine
CID 153402706
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
8-(3-morpholin-4-ylpropoxy)-2-pyridin-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one
CID 19824998
N,N-dimethyl-1-[3-[[4-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]oxy]propyl]piperidin-4-amine
CID 123860131
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine (CID 71577863) is 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine is O=S(=O)(c1ccc2ccccc2c1)N1CCSc2ccc(OCCCN3CCOCC3)cc21.
What is the InChIKey of 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine?
The InChIKey is RBHDKBZSAMRGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c28-33(29,23-8-6-20-4-1-2-5-21(20)18-23)27-13-17-32-25-9-7-22(19-24(25)27)31-14-3-10-26-11-15-30-16-12-26/h1-2,4-9,18-19H,3,10-17H2.
What are the key properties of 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine?
4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine has a molecular weight of 484.64 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-yl)oxy]propyl]morpholine is sourced from PubChem (CID 71577863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).