2-(ethylamino)-2-(thiolan-3-yl)acetonitrile

C8H14N2S — CID 107132908

IUPAC2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
SMILESCCNC(C#N)C1CCSC1
InChIInChI=1S/C8H14N2S/c1-2-10-8(5-9)7-3-4-11-6-7/h7-8,10H,2-4,6H2,1H3
InChIKeyMEZKJOXBHHSEMQ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.24
Rot. Bonds3

About 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile

2-(ethylamino)-2-(thiolan-3-yl)acetonitrile (PubChem CID 107132908) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
PubChem CID107132908
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
SMILESCCNC(C#N)C1CCSC1
InChIInChI=1S/C8H14N2S/c1-2-10-8(5-9)7-3-4-11-6-7/h7-8,10H,2-4,6H2,1H3
InChIKeyMEZKJOXBHHSEMQ-UHFFFAOYSA-N
XLogP1.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-ethyl-1-(thiolan-3-yl)prop-2-yn-1-amine
CID 105158299
2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132960
N-ethyl-2-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105078063
2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 107132929
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
CID 114984200
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
2-chloro-2-(thiolan-3-yl)acetonitrile
CID 107133436
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992
N-[(3-ethylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105156124

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile?
The IUPAC name of 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile (CID 107132908) is 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile?
The canonical SMILES for 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile is CCNC(C#N)C1CCSC1.
What is the InChIKey of 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile?
The InChIKey is MEZKJOXBHHSEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-10-8(5-9)7-3-4-11-6-7/h7-8,10H,2-4,6H2,1H3.
What are the key properties of 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile?
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile has a molecular weight of 170.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(thiolan-3-yl)acetonitrile is sourced from PubChem (CID 107132908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).