3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine

C14H29NO2S — CID 106732258

IUPAC3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-5-9-15-13-7-6-12(11-13)8-10-18(16,17)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeySPQLRBOAMISWFW-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds6

About 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine

3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine (PubChem CID 106732258) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine
PubChem CID106732258
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-5-9-15-13-7-6-12(11-13)8-10-18(16,17)14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeySPQLRBOAMISWFW-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylsulfonylethyl)cyclopentan-1-ol
CID 106732427
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
1-(2-tert-butylsulfonylethyl)-3-chlorocycloheptane
CID 106732503
N-propyl-3-propylsulfonylcyclopentan-1-amine
CID 64723445
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-[3-(propylamino)cyclopentyl]acetic acid
CID 123558045
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
2-(cyclopropylamino)-N-(4-propylcyclohexyl)ethanesulfonamide
CID 106054472
3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine
CID 79186208
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine (CID 106732258) is 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(CCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine?
The InChIKey is SPQLRBOAMISWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-9-15-13-7-6-12(11-13)8-10-18(16,17)14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine?
3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 106732258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).