N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide

C13H28N2O2S — CID 62632830

IUPACN-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-4-15(18(3,16)17)11-7-10-14-12(2)13-8-5-6-9-13/h12-14H,4-11H2,1-3H3
InChIKeyKUFTUPCVKOGDNV-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds8

About N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide

N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide (PubChem CID 62632830) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
PubChem CID62632830
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-4-15(18(3,16)17)11-7-10-14-12(2)13-8-5-6-9-13/h12-14H,4-11H2,1-3H3
InChIKeyKUFTUPCVKOGDNV-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-ethyl-N-[3-[(3-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 64502160

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide (CID 62632830) is N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide is CCN(CCCNC(C)C1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is KUFTUPCVKOGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-15(18(3,16)17)11-7-10-14-12(2)13-8-5-6-9-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide?
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 62632830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).