1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile

C14H27N3O2S — CID 79850591

IUPAC1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C14H27N3O2S/c1-4-16-14(12-15)8-5-6-13(14)7-9-17(2)10-11-20(3,18)19/h13,16H,4-11H2,1-3H3
InChIKeyFYWPEXGDVFUEQT-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.02
Rot. Bonds8

About 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile

1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79850591) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79850591
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C14H27N3O2S/c1-4-16-14(12-15)8-5-6-13(14)7-9-17(2)10-11-20(3,18)19/h13,16H,4-11H2,1-3H3
InChIKeyFYWPEXGDVFUEQT-UHFFFAOYSA-N
XLogP1.02
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185
2-[2-[3-(dimethylamino)propyl-ethylamino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 102996420
1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565614
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
CID 65045168
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol
CID 79844792
2-[2-(2-methylsulfonylethylsulfanyl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576591

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79850591) is 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCN(C)CCS(C)(=O)=O.
What is the InChIKey of 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is FYWPEXGDVFUEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-4-16-14(12-15)8-5-6-13(14)7-9-17(2)10-11-20(3,18)19/h13,16H,4-11H2,1-3H3.
What are the key properties of 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 301.46 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79850591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).