N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide

C16H21N3O4S — CID 9061071

IUPACN-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=C1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H21N3O4S/c20-16(18-17-14-5-1-2-6-14)13-4-3-7-15(12-13)24(21,22)19-8-10-23-11-9-19/h3-4,7,12H,1-2,5-6,8-11H2,(H,18,20)
InChIKeyATUMPVGMJVDIDB-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.37
Rot. Bonds4

About N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide

N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 9061071) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID9061071
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=C1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H21N3O4S/c20-16(18-17-14-5-1-2-6-14)13-4-3-7-15(12-13)24(21,22)19-8-10-23-11-9-19/h3-4,7,12H,1-2,5-6,8-11H2,(H,18,20)
InChIKeyATUMPVGMJVDIDB-UHFFFAOYSA-N
XLogP1.37
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 5109033
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061003
N'-(cyclohepten-1-yl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2588973
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylsulfonylbenzamide
CID 137060471
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061050
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide (CID 9061071) is N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide is O=C(NN=C1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ATUMPVGMJVDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-16(18-17-14-5-1-2-6-14)13-4-3-7-15(12-13)24(21,22)19-8-10-23-11-9-19/h3-4,7,12H,1-2,5-6,8-11H2,(H,18,20).
What are the key properties of N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 351.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9061071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).