N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide

C14H26N2OS — CID 103859937

IUPACN-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
SMILESCSC1CCCCC1NC(=O)CCC1CCNC1
InChIInChI=1S/C14H26N2OS/c1-18-13-5-3-2-4-12(13)16-14(17)7-6-11-8-9-15-10-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyRLLKSBILJACNAJ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.17
Rot. Bonds5

About N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide

N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 103859937) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID103859937
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
SMILESCSC1CCCCC1NC(=O)CCC1CCNC1
InChIInChI=1S/C14H26N2OS/c1-18-13-5-3-2-4-12(13)16-14(17)7-6-11-8-9-15-10-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyRLLKSBILJACNAJ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide
CID 113343493
N-[2-(hydroxymethyl)cyclohexyl]-3-pyrrolidin-3-ylpropanamide
CID 114178713
N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
CID 103859936
N-(2-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62210845
N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-yloxypropanamide
CID 103920718
N-[2-(hydroxymethyl)cyclohexyl]-3-piperidin-4-ylpropanamide
CID 106361419
N-(2-methylsulfanylcyclopentyl)-2-morpholin-2-ylacetamide
CID 103811827
N-[2-(hydroxymethyl)cyclopentyl]-3-piperidin-4-ylpropanamide
CID 103876533
6-amino-4,4-dimethyl-N-(2-methylsulfanylcyclopentyl)hexanamide
CID 114121464
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
CID 106247834

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide (CID 103859937) is N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide is CSC1CCCCC1NC(=O)CCC1CCNC1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is RLLKSBILJACNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-13-5-3-2-4-12(13)16-14(17)7-6-11-8-9-15-10-11/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 270.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 103859937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).