methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide

C9H12N2S — CID 117043598

IUPACmethyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
SMILESCc1ccsc1CCN(C)C#N
InChIInChI=1S/C9H12N2S/c1-8-4-6-12-9(8)3-5-11(2)7-10/h4,6H,3,5H2,1-2H3
InChIKeyBGOBSIDRCDLDAI-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.01
Rot. Bonds3

About methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide

methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide (PubChem CID 117043598) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide.

Molecular Properties

Compound Namemethyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
PubChem CID117043598
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Namemethyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
SMILESCc1ccsc1CCN(C)C#N
InChIInChI=1S/C9H12N2S/c1-8-4-6-12-9(8)3-5-11(2)7-10/h4,6H,3,5H2,1-2H3
InChIKeyBGOBSIDRCDLDAI-UHFFFAOYSA-N
XLogP2.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
CID 115130607
3-methyl-2-[[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254717
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(3-bromopropyl)-3-methylthiophene
CID 19688419
2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115129522
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115146924
3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
CID 115122472
2-hexyl-3-methylthiophene
CID 69043695
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide?
The IUPAC name of methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide (CID 117043598) is methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide.
What is the SMILES notation for methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide?
The canonical SMILES for methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide is Cc1ccsc1CCN(C)C#N.
What is the InChIKey of methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide?
The InChIKey is BGOBSIDRCDLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-8-4-6-12-9(8)3-5-11(2)7-10/h4,6H,3,5H2,1-2H3.
What are the key properties of methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide?
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide has a molecular weight of 180.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide is sourced from PubChem (CID 117043598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).