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

C11H14N2S — CID 115242191

IUPAC1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCc1ccsc1N(C)CC1(C#N)CC1
InChIInChI=1S/C11H14N2S/c1-9-3-6-14-10(9)13(2)8-11(7-12)4-5-11/h3,6H,4-5,8H2,1-2H3
InChIKeyGMSHMGDAZYWUSO-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.80
Rot. Bonds3

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

1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242191) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242191
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCc1ccsc1N(C)CC1(C#N)CC1
InChIInChI=1S/C11H14N2S/c1-9-3-6-14-10(9)13(2)8-11(7-12)4-5-11/h3,6H,4-5,8H2,1-2H3
InChIKeyGMSHMGDAZYWUSO-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242056
4-[methyl-(3-methylthiophen-2-yl)amino]butanenitrile
CID 115231648
1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242171
1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242043
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
1-[(2-bromo-N-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242181
N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
CID 115198451
N,2-dimethyl-N-(3-methylthiophen-2-yl)butane-1,4-diamine
CID 115202509
1-[(2-chloro-5-fluoro-N,4-dimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245218
1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 82113622

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242191) is 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile is Cc1ccsc1N(C)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is GMSHMGDAZYWUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9-3-6-14-10(9)13(2)8-11(7-12)4-5-11/h3,6H,4-5,8H2,1-2H3.
What are the key properties of 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).