3-(ethylamino)-4-methylthiolane-3-carbonitrile

C8H14N2S — CID 130520007

IUPAC3-(ethylamino)-4-methylthiolane-3-carbonitrile
SMILESCCNC1(C#N)CSCC1C
InChIInChI=1S/C8H14N2S/c1-3-10-8(5-9)6-11-4-7(8)2/h7,10H,3-4,6H2,1-2H3
InChIKeyKSAVDSDPWBIKLK-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.24
Rot. Bonds2

About 3-(ethylamino)-4-methylthiolane-3-carbonitrile

3-(ethylamino)-4-methylthiolane-3-carbonitrile (PubChem CID 130520007) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-(ethylamino)-4-methylthiolane-3-carbonitrile.

Molecular Properties

Compound Name3-(ethylamino)-4-methylthiolane-3-carbonitrile
PubChem CID130520007
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-(ethylamino)-4-methylthiolane-3-carbonitrile
SMILESCCNC1(C#N)CSCC1C
InChIInChI=1S/C8H14N2S/c1-3-10-8(5-9)6-11-4-7(8)2/h7,10H,3-4,6H2,1-2H3
InChIKeyKSAVDSDPWBIKLK-UHFFFAOYSA-N
XLogP1.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43115118
1-(ethylamino)-2-methylsulfonylcyclopentane-1-carbonitrile
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1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
3,3,4-trimethylthiolane
CID 66729923
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile
CID 146339668
3-(ethylamino)-1-hydroxypyrrolidine-3-carbonitrile
CID 149448490
1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
CID 130554667
2-(2-cycloheptyloxyethyl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79576704
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-methylthiolane-3-carbonitrile?
The IUPAC name of 3-(ethylamino)-4-methylthiolane-3-carbonitrile (CID 130520007) is 3-(ethylamino)-4-methylthiolane-3-carbonitrile.
What is the SMILES notation for 3-(ethylamino)-4-methylthiolane-3-carbonitrile?
The canonical SMILES for 3-(ethylamino)-4-methylthiolane-3-carbonitrile is CCNC1(C#N)CSCC1C.
What is the InChIKey of 3-(ethylamino)-4-methylthiolane-3-carbonitrile?
The InChIKey is KSAVDSDPWBIKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-10-8(5-9)6-11-4-7(8)2/h7,10H,3-4,6H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-methylthiolane-3-carbonitrile?
3-(ethylamino)-4-methylthiolane-3-carbonitrile has a molecular weight of 170.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-methylthiolane-3-carbonitrile is sourced from PubChem (CID 130520007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).