4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine

C17H24N2O3S2 — CID 141065484

IUPAC4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)SNC(C1CCCC1)C2)N1CCOCC1
InChIInChI=1S/C17H24N2O3S2/c20-24(21,19-7-9-22-10-8-19)15-6-5-14-11-16(13-3-1-2-4-13)18-23-17(14)12-15/h5-6,12-13,16,18H,1-4,7-11H2
InChIKeyYOVUWZTXMSZYHY-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.42
Rot. Bonds3

About 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine

4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine (PubChem CID 141065484) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine
PubChem CID141065484
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC Name4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)SNC(C1CCCC1)C2)N1CCOCC1
InChIInChI=1S/C17H24N2O3S2/c20-24(21,19-7-9-22-10-8-19)15-6-5-14-11-16(13-3-1-2-4-13)18-23-17(14)12-15/h5-6,12-13,16,18H,1-4,7-11H2
InChIKeyYOVUWZTXMSZYHY-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284728
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
CID 60664900
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
7-piperidin-1-ylsulfonyl-3-propyl-3,4-dihydro-2H-1,2,4-benzothiadiazine
CID 56978369
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8802986
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
(2S)-2-(morpholine-4-carbonyl)-6-morpholin-4-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 95085156

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine (CID 141065484) is 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine is O=S(=O)(c1ccc2c(c1)SNC(C1CCCC1)C2)N1CCOCC1.
What is the InChIKey of 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine?
The InChIKey is YOVUWZTXMSZYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c20-24(21,19-7-9-22-10-8-19)15-6-5-14-11-16(13-3-1-2-4-13)18-23-17(14)12-15/h5-6,12-13,16,18H,1-4,7-11H2.
What are the key properties of 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine?
4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine has a molecular weight of 368.52 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentyl-3,4-dihydro-2H-1,2-benzothiazin-7-yl)sulfonyl]morpholine is sourced from PubChem (CID 141065484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).