N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide

C14H28N2OS — CID 113260733

IUPACN,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC1CCCCC1SC
InChIInChI=1S/C14H28N2OS/c1-5-16(6-2)14(17)11(3)15-12-9-7-8-10-13(12)18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyXKONKZIYPOEGMC-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.51
Rot. Bonds6

About N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide

N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide (PubChem CID 113260733) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
PubChem CID113260733
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC1CCCCC1SC
InChIInChI=1S/C14H28N2OS/c1-5-16(6-2)14(17)11(3)15-12-9-7-8-10-13(12)18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyXKONKZIYPOEGMC-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 103902988
N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102734004
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
(2S)-2-[(2-acetylcyclopentyl)amino]-N,N-diethyl-3-methylbutanamide
CID 101337532
2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
CID 115585935
3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
CID 103812043

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide (CID 113260733) is N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide is CCN(CC)C(=O)C(C)NC1CCCCC1SC.
What is the InChIKey of N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
The InChIKey is XKONKZIYPOEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-5-16(6-2)14(17)11(3)15-12-9-7-8-10-13(12)18-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide?
N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide has a molecular weight of 272.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide is sourced from PubChem (CID 113260733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).