N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine

C15H29NO2S — CID 106735497

IUPACN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCC1CCCC1CNC1CC1
InChIInChI=1S/C15H29NO2S/c1-15(2,3)19(17,18)10-9-12-5-4-6-13(12)11-16-14-7-8-14/h12-14,16H,4-11H2,1-3H3
InChIKeyFCUILRDQHGOVQE-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.76
Rot. Bonds6

About N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 106735497) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID106735497
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCC1CCCC1CNC1CC1
InChIInChI=1S/C15H29NO2S/c1-15(2,3)19(17,18)10-9-12-5-4-6-13(12)11-16-14-7-8-14/h12-14,16H,4-11H2,1-3H3
InChIKeyFCUILRDQHGOVQE-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106735488
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106735451
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
N-[[2-(2-ethylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 106735499
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine
CID 81034695
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine
CID 106365038
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine (CID 106735497) is N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine is CC(C)(C)S(=O)(=O)CCC1CCCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is FCUILRDQHGOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-15(2,3)19(17,18)10-9-12-5-4-6-13(12)11-16-14-7-8-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 287.47 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 N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 106735497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).