N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide

C16H30N2OS — CID 45243625

IUPACN-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H30N2OS/c1-20-12-10-16(19)17-14-7-6-11-18(13-14)15-8-4-2-3-5-9-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyBKHQYQKPAZNUKQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.04
Rot. Bonds5

About N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide

N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide (PubChem CID 45243625) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
PubChem CID45243625
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H30N2OS/c1-20-12-10-16(19)17-14-7-6-11-18(13-14)15-8-4-2-3-5-9-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyBKHQYQKPAZNUKQ-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide (CID 45243625) is N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide is CSCCC(=O)NC1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide?
The InChIKey is BKHQYQKPAZNUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-20-12-10-16(19)17-14-7-6-11-18(13-14)15-8-4-2-3-5-9-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide?
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide has a molecular weight of 298.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 45243625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).