N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine

C13H28N2O2S — CID 113350762

IUPACN'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCS(=O)(=O)CC(C)NCCN(C)C1CCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)11-12(2)14-9-10-15(3)13-7-5-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyHFJQHZMIKUUEEV-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds8

About N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 113350762) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID113350762
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCS(=O)(=O)CC(C)NCCN(C)C1CCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)11-12(2)14-9-10-15(3)13-7-5-6-8-13/h12-14H,4-11H2,1-3H3
InChIKeyHFJQHZMIKUUEEV-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
2-N-[2-[cyclopentyl(methyl)amino]ethyl]propane-1,2-diamine
CID 103389932
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 55205255
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
CID 63318071
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976
N'-cyclopentyl-N'-methyl-N-[1-(1-methylcyclopropyl)ethyl]ethane-1,2-diamine
CID 63314802
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758
methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
CID 79397246

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine (CID 113350762) is N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine is CCS(=O)(=O)CC(C)NCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is HFJQHZMIKUUEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-18(16,17)11-12(2)14-9-10-15(3)13-7-5-6-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113350762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).