5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine

C13H27NOS — CID 79863357

IUPAC5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(S(=O)C(C)CC)CCC1(C)C
InChIInChI=1S/C13H27NOS/c1-6-10(3)16(15)11-8-9-13(4,5)12(11)14-7-2/h10-12,14H,6-9H2,1-5H3
InChIKeyZDEIIMCEOSTAJJ-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.70
Rot. Bonds5

About 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79863357) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79863357
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(S(=O)C(C)CC)CCC1(C)C
InChIInChI=1S/C13H27NOS/c1-6-10(3)16(15)11-8-9-13(4,5)12(11)14-7-2/h10-12,14H,6-9H2,1-5H3
InChIKeyZDEIIMCEOSTAJJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
5-butan-2-ylsulfanyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863499
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
N-ethyl-2,2-dimethyl-5-(3-methylbutoxy)cyclopentan-1-amine
CID 79856244
N-ethyl-2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863335
N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 79847405
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 79863357) is 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(S(=O)C(C)CC)CCC1(C)C.
What is the InChIKey of 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is ZDEIIMCEOSTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-6-10(3)16(15)11-8-9-13(4,5)12(11)14-7-2/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79863357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).