N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide

C12H23NOS — CID 78874136

IUPACN-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
SMILESCCN(C(=O)C(C)SC)C1CCCCC1
InChIInChI=1S/C12H23NOS/c1-4-13(12(14)10(2)15-3)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyDNRZMDVXDVBZLD-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.92
Rot. Bonds4

About N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide

N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide (PubChem CID 78874136) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
PubChem CID78874136
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
SMILESCCN(C(=O)C(C)SC)C1CCCCC1
InChIInChI=1S/C12H23NOS/c1-4-13(12(14)10(2)15-3)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyDNRZMDVXDVBZLD-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
2-bromo-N-cyclohexyl-N-ethylpropanamide
CID 82110731
N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
CID 56831854
2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420
(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635405
(2R)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635419
2-amino-N-cyclohexyl-N-ethyl-4-methylpentanamide;hydrochloride
CID 71898432
(2S)-N-cyclohexyl-N-ethyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40668786
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
CID 18130864
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-amino-N-cyclohexyl-N-ethyl-3-methoxypropanamide
CID 81080942

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide (CID 78874136) is N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide is CCN(C(=O)C(C)SC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide?
The InChIKey is DNRZMDVXDVBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-4-13(12(14)10(2)15-3)11-8-6-5-7-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide?
N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide has a molecular weight of 229.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide is sourced from PubChem (CID 78874136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).