N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide

C13H26N2OS — CID 119817000

IUPACN-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide
SMILESCCSC1CCC(N(C)C(=O)C(C)CNC)C1
InChIInChI=1S/C13H26N2OS/c1-5-17-12-7-6-11(8-12)15(4)13(16)10(2)9-14-3/h10-12,14H,5-9H2,1-4H3
InChIKeyORUOIXQOPDEDAM-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.97
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide

N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 119817000) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID119817000
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide
SMILESCCSC1CCC(N(C)C(=O)C(C)CNC)C1
InChIInChI=1S/C13H26N2OS/c1-5-17-12-7-6-11(8-12)15(4)13(16)10(2)9-14-3/h10-12,14H,5-9H2,1-4H3
InChIKeyORUOIXQOPDEDAM-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119841952
N,2-dimethyl-3-(methylamino)-N-(1-propylpiperidin-4-yl)propanamide
CID 79201989
1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 71971414
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-methyl-3-(methylamino)propanamide
CID 119733275
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
CID 119816970
1-(3-ethylsulfanylcyclopentyl)-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75379207
1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97223816
N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 102632043
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97223648
3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 75379365

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide (CID 119817000) is N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide is CCSC1CCC(N(C)C(=O)C(C)CNC)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is ORUOIXQOPDEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-17-12-7-6-11(8-12)15(4)13(16)10(2)9-14-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide?
N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 258.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 119817000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).