3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine

C14H29NO2S — CID 65096786

IUPAC3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CCCS(=O)(=O)CC)C1C
InChIInChI=1S/C14H29NO2S/c1-4-10-15-14-9-8-13(12(14)3)7-6-11-18(16,17)5-2/h12-15H,4-11H2,1-3H3
InChIKeyLNZVZRIDRUVKLM-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds8

About 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine

3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 65096786) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
PubChem CID65096786
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CCCS(=O)(=O)CC)C1C
InChIInChI=1S/C14H29NO2S/c1-4-10-15-14-9-8-13(12(14)3)7-6-11-18(16,17)5-2/h12-15H,4-11H2,1-3H3
InChIKeyLNZVZRIDRUVKLM-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

N-ethyl-2-methyl-3-pentylcyclopentan-1-amine
CID 64907904
3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64908774
N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106732386
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
CID 65443445
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65097873
3-(3-ethylsulfonylpropyl)-4-methylpiperidine
CID 106779394
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
3-cyclopropyl-2-methyl-N-propylcyclopentan-1-amine
CID 64909214
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine (CID 65096786) is 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(CCCS(=O)(=O)CC)C1C.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is LNZVZRIDRUVKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-10-15-14-9-8-13(12(14)3)7-6-11-18(16,17)5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine?
3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-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 3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 65096786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).