N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide

C16H29N3O3S — CID 60508461

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
SMILESCS(=O)(=O)NC1CCCN(CC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H29N3O3S/c1-23(21,22)18-15-8-5-11-19(12-15)13-16(20)17-10-9-14-6-3-2-4-7-14/h6,15,18H,2-5,7-13H2,1H3,(H,17,20)
InChIKeyQADVWOFCPKQWHY-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.01
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide (PubChem CID 60508461) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
PubChem CID60508461
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
SMILESCS(=O)(=O)NC1CCCN(CC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H29N3O3S/c1-23(21,22)18-15-8-5-11-19(12-15)13-16(20)17-10-9-14-6-3-2-4-7-14/h6,15,18H,2-5,7-13H2,1H3,(H,17,20)
InChIKeyQADVWOFCPKQWHY-UHFFFAOYSA-N
XLogP1.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.01
H-Bond Donors ≤ 52
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]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide (CID 60508461) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide is CS(=O)(=O)NC1CCCN(CC(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
The InChIKey is QADVWOFCPKQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-23(21,22)18-15-8-5-11-19(12-15)13-16(20)17-10-9-14-6-3-2-4-7-14/h6,15,18H,2-5,7-13H2,1H3,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide has a molecular weight of 343.49 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide is sourced from PubChem (CID 60508461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).