1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile

C10H12N2S — CID 115242043

IUPAC1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCc1ccsc1NCC1(C#N)CC1
InChIInChI=1S/C10H12N2S/c1-8-2-5-13-9(8)12-7-10(6-11)3-4-10/h2,5,12H,3-4,7H2,1H3
InChIKeyHTMNHHMRDJAPDG-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.77
Rot. Bonds3

About 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242043) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242043
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCc1ccsc1NCC1(C#N)CC1
InChIInChI=1S/C10H12N2S/c1-8-2-5-13-9(8)12-7-10(6-11)3-4-10/h2,5,12H,3-4,7H2,1H3
InChIKeyHTMNHHMRDJAPDG-UHFFFAOYSA-N
XLogP2.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242043) is 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile is Cc1ccsc1NCC1(C#N)CC1.
What is the InChIKey of 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is HTMNHHMRDJAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-8-2-5-13-9(8)12-7-10(6-11)3-4-10/h2,5,12H,3-4,7H2,1H3.
What are the key properties of 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 192.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).