3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

C16H28N2O3S — CID 57139183

IUPAC3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCS(=O)(=O)C1=CCCCC1
InChIInChI=1S/C16H28N2O3S/c1-2-18-11-6-7-14(18)13-17-16(19)10-12-22(20,21)15-8-4-3-5-9-15/h8,14H,2-7,9-13H2,1H3,(H,17,19)
InChIKeyVSCWEXBDBAFAFY-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.85
Rot. Bonds7

About 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 57139183) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
PubChem CID57139183
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCS(=O)(=O)C1=CCCCC1
InChIInChI=1S/C16H28N2O3S/c1-2-18-11-6-7-14(18)13-17-16(19)10-12-22(20,21)15-8-4-3-5-9-15/h8,14H,2-7,9-13H2,1H3,(H,17,19)
InChIKeyVSCWEXBDBAFAFY-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (CID 57139183) is 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is CCN1CCCC1CNC(=O)CCS(=O)(=O)C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is VSCWEXBDBAFAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-2-18-11-6-7-14(18)13-17-16(19)10-12-22(20,21)15-8-4-3-5-9-15/h8,14H,2-7,9-13H2,1H3,(H,17,19).
What are the key properties of 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 328.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 57139183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).