N-propylsulfonylcycloheptene-1-carboxamide

C11H19NO3S — CID 75524585

IUPACN-propylsulfonylcycloheptene-1-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1=CCCCCC1
InChIInChI=1S/C11H19NO3S/c1-2-9-16(14,15)12-11(13)10-7-5-3-4-6-8-10/h7H,2-6,8-9H2,1H3,(H,12,13)
InChIKeyJJWWSRZTBIAMOJ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.73
Rot. Bonds4

About N-propylsulfonylcycloheptene-1-carboxamide

N-propylsulfonylcycloheptene-1-carboxamide (PubChem CID 75524585) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-propylsulfonylcycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-propylsulfonylcycloheptene-1-carboxamide
PubChem CID75524585
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-propylsulfonylcycloheptene-1-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1=CCCCCC1
InChIInChI=1S/C11H19NO3S/c1-2-9-16(14,15)12-11(13)10-7-5-3-4-6-8-10/h7H,2-6,8-9H2,1H3,(H,12,13)
InChIKeyJJWWSRZTBIAMOJ-UHFFFAOYSA-N
XLogP1.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl cycloundecene-1-carboxylate
CID 154164177
methyl cyclododecene-1-carboxylate
CID 54564642
N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
CID 134339064
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
1-(cyclohepten-1-yl)-3-methylhexan-1-one
CID 103450521
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
(E)-1-(cyclohexen-1-yl)hex-2-en-1-one
CID 134964735
cycloheptene-1-carboxamide
CID 22261654
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220

Frequently Asked Questions

What is the IUPAC name of N-propylsulfonylcycloheptene-1-carboxamide?
The IUPAC name of N-propylsulfonylcycloheptene-1-carboxamide (CID 75524585) is N-propylsulfonylcycloheptene-1-carboxamide.
What is the SMILES notation for N-propylsulfonylcycloheptene-1-carboxamide?
The canonical SMILES for N-propylsulfonylcycloheptene-1-carboxamide is CCCS(=O)(=O)NC(=O)C1=CCCCCC1.
What is the InChIKey of N-propylsulfonylcycloheptene-1-carboxamide?
The InChIKey is JJWWSRZTBIAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-2-9-16(14,15)12-11(13)10-7-5-3-4-6-8-10/h7H,2-6,8-9H2,1H3,(H,12,13).
What are the key properties of N-propylsulfonylcycloheptene-1-carboxamide?
N-propylsulfonylcycloheptene-1-carboxamide has a molecular weight of 245.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfonylcycloheptene-1-carboxamide is sourced from PubChem (CID 75524585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).