N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine

C12H23NO3S — CID 102613936

IUPACN-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCOC1CC(NC2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C12H23NO3S/c1-3-16-10-7-9(8-10)13-11-5-4-6-12(11)17(2,14)15/h9-13H,3-8H2,1-2H3
InChIKeyKGZBRHDWVJVXGX-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.11
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 102613936) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID102613936
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCOC1CC(NC2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C12H23NO3S/c1-3-16-10-7-9(8-10)13-11-5-4-6-12(11)17(2,14)15/h9-13H,3-8H2,1-2H3
InChIKeyKGZBRHDWVJVXGX-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(3-propan-2-yloxypropyl)propan-2-amine
CID 64630109
1-methylsulfonyl-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 64631172
2-(2-methoxyethylsulfonyl)-N-propylcyclopentan-1-amine
CID 64646726
2-(2-methoxyethylsulfonyl)-N-methylcyclopentan-1-amine
CID 64646900
N-ethyl-2-(2-methoxyethylsulfonyl)cyclopentan-1-amine
CID 64647112
2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 64674512
2-(3-methoxypropylsulfonyl)-N-methylcyclopentan-1-amine
CID 64674665
N-ethyl-2-(oxan-4-ylsulfonyl)cyclopentan-1-amine
CID 64675112
2-(3-methoxypropylsulfonyl)-N-propylcyclopentan-1-amine
CID 64675656
N-ethyl-2-(3-methoxypropylsulfonyl)cyclopentan-1-amine
CID 64675859
2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
CID 64850395
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 64852274

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine (CID 102613936) is N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine is CCOC1CC(NC2CCCC2S(C)(=O)=O)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is KGZBRHDWVJVXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-3-16-10-7-9(8-10)13-11-5-4-6-12(11)17(2,14)15/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 102613936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).