N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine

C14H29NO2S — CID 107760245

IUPACN-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)CCC(C)C
InChIInChI=1S/C14H29NO2S/c1-4-15-14-7-5-6-13(14)9-11-18(16,17)10-8-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLQHAMNWLYAGPTQ-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds8

About N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine (PubChem CID 107760245) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
PubChem CID107760245
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)CCC(C)C
InChIInChI=1S/C14H29NO2S/c1-4-15-14-7-5-6-13(14)9-11-18(16,17)10-8-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyLQHAMNWLYAGPTQ-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
CID 79581739
2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine
CID 79582120
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103290168
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
CID 107759130
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine
CID 79850712
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-ethyl-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79565320
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
2-(2-butan-2-yloxyethyl)-N-ethylcyclopentan-1-amine
CID 79572814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine (CID 107760245) is N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCS(=O)(=O)CCC(C)C.
What is the InChIKey of N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine?
The InChIKey is LQHAMNWLYAGPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-15-14-7-5-6-13(14)9-11-18(16,17)10-8-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 107760245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).