N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide

C13H26N2OS — CID 114116655

IUPACN-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCC1(SC)CCCCC1
InChIInChI=1S/C13H26N2OS/c1-4-14-12(16)11(2)15-10-13(17-3)8-6-5-7-9-13/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeySRAAASVVHXHLSU-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.17
Rot. Bonds6

About N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide

N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide (PubChem CID 114116655) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
PubChem CID114116655
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCC1(SC)CCCCC1
InChIInChI=1S/C13H26N2OS/c1-4-14-12(16)11(2)15-10-13(17-3)8-6-5-7-9-13/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeySRAAASVVHXHLSU-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-[(1-methylsulfanylcyclopropyl)methylamino]propanamide
CID 107266190
1,1-diethyl-3-[(1-methylsulfanylcyclohexyl)methyl]urea
CID 114115882
N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
CID 114117368
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentylpropanamide
CID 115359404
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
2-[(1-hydroxycyclopentyl)methylamino]-N-pentylpropanamide
CID 65109318
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563
ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
CID 107299283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide (CID 114116655) is N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide is CCNC(=O)C(C)NCC1(SC)CCCCC1.
What is the InChIKey of N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide?
The InChIKey is SRAAASVVHXHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-14-12(16)11(2)15-10-13(17-3)8-6-5-7-9-13/h11,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide?
N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide has a molecular weight of 258.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide is sourced from PubChem (CID 114116655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).