ethane;N-(4-methylsulfanylcyclohexyl)propanamide

C12H25NOS — CID 142541803

IUPACethane;N-(4-methylsulfanylcyclohexyl)propanamide
SMILESCC.CCC(=O)NC1CCC(SC)CC1
InChIInChI=1S/C10H19NOS.C2H6/c1-3-10(12)11-8-4-6-9(13-2)7-5-8;1-2/h8-9H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyAYAMBFZJDXHFGW-UHFFFAOYSA-N
MW231.40 g/mol
LogP3.21
Rot. Bonds3

About ethane;N-(4-methylsulfanylcyclohexyl)propanamide

ethane;N-(4-methylsulfanylcyclohexyl)propanamide (PubChem CID 142541803) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is ethane;N-(4-methylsulfanylcyclohexyl)propanamide.

Molecular Properties

Compound Nameethane;N-(4-methylsulfanylcyclohexyl)propanamide
PubChem CID142541803
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Nameethane;N-(4-methylsulfanylcyclohexyl)propanamide
SMILESCC.CCC(=O)NC1CCC(SC)CC1
InChIInChI=1S/C10H19NOS.C2H6/c1-3-10(12)11-8-4-6-9(13-2)7-5-8;1-2/h8-9H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyAYAMBFZJDXHFGW-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114124423
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114123049
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
N-(3-aminocyclopentyl)propanamide
CID 83619264
N-(4-methylsulfanylcyclohexyl)-2-morpholin-2-ylacetamide
CID 114123058
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylsulfanylcyclohexyl)propanamide?
The IUPAC name of ethane;N-(4-methylsulfanylcyclohexyl)propanamide (CID 142541803) is ethane;N-(4-methylsulfanylcyclohexyl)propanamide.
What is the SMILES notation for ethane;N-(4-methylsulfanylcyclohexyl)propanamide?
The canonical SMILES for ethane;N-(4-methylsulfanylcyclohexyl)propanamide is CC.CCC(=O)NC1CCC(SC)CC1.
What is the InChIKey of ethane;N-(4-methylsulfanylcyclohexyl)propanamide?
The InChIKey is AYAMBFZJDXHFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.C2H6/c1-3-10(12)11-8-4-6-9(13-2)7-5-8;1-2/h8-9H,3-7H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-(4-methylsulfanylcyclohexyl)propanamide?
ethane;N-(4-methylsulfanylcyclohexyl)propanamide has a molecular weight of 231.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylsulfanylcyclohexyl)propanamide is sourced from PubChem (CID 142541803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).