N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

C16H29N3O3S — CID 110343152

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H29N3O3S/c1-18-10-12-19(13-11-18)23(21,22)14-8-16(20)17-9-7-15-5-3-2-4-6-15/h5H,2-4,6-14H2,1H3,(H,17,20)
InChIKeyRAZNTXWKQHNQJY-UHFFFAOYSA-N
MW343.49 g/mol
LogP0.96
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (PubChem CID 110343152) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
PubChem CID110343152
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H29N3O3S/c1-18-10-12-19(13-11-18)23(21,22)14-8-16(20)17-9-7-15-5-3-2-4-6-15/h5H,2-4,6-14H2,1H3,(H,17,20)
InChIKeyRAZNTXWKQHNQJY-UHFFFAOYSA-N
XLogP0.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (CID 110343152) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is CN1CCN(S(=O)(=O)CCC(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The InChIKey is RAZNTXWKQHNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-18-10-12-19(13-11-18)23(21,22)14-8-16(20)17-9-7-15-5-3-2-4-6-15/h5H,2-4,6-14H2,1H3,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide has a molecular weight of 343.49 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is sourced from PubChem (CID 110343152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).