N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide

C13H28N2O2S — CID 55261493

IUPACN-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H28N2O2S/c1-4-15(13(11-14)8-5-6-9-13)18(16,17)10-7-12(2)3/h12H,4-11,14H2,1-3H3
InChIKeyZLWDFNCXQGKBAU-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.96
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide (PubChem CID 55261493) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide
PubChem CID55261493
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)CCC(C)C
InChIInChI=1S/C13H28N2O2S/c1-4-15(13(11-14)8-5-6-9-13)18(16,17)10-7-12(2)3/h12H,4-11,14H2,1-3H3
InChIKeyZLWDFNCXQGKBAU-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-({1-[ethyl(methyl)amino]cyclopentyl}methyl)cyclopropanesulfonamide
CID 131908038
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
1-cyclopentyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]methanesulfonamide
CID 164639860
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008632
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009022
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83048546
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068461
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83068531
[1-(4-Propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine
CID 58561678
3-(Cyclopentylmethylamino)propane-1-sulfonamide
CID 62071058
N-(2-cyclopentyl-2-piperazin-1-ylethyl)propane-1-sulfonamide
CID 91582674

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide (CID 55261493) is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide is CCN(C1(CN)CCCC1)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide?
The InChIKey is ZLWDFNCXQGKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-15(13(11-14)8-5-6-9-13)18(16,17)10-7-12(2)3/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 55261493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).