N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide

C16H30N2OS — CID 45241164

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H30N2OS/c1-20-11-9-16(19)17-15-8-5-10-18(13-15)12-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyURQNGDYEMDNUNU-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.90
Rot. Bonds6

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide (PubChem CID 45241164) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide
PubChem CID45241164
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H30N2OS/c1-20-11-9-16(19)17-15-8-5-10-18(13-15)12-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyURQNGDYEMDNUNU-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide (CID 45241164) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide is CSCCC(=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide?
The InChIKey is URQNGDYEMDNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-20-11-9-16(19)17-15-8-5-10-18(13-15)12-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide has a molecular weight of 298.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 45241164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).