cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium

C12H20NS+ — CID 7473498

IUPACcyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH2+]C1CCCCC1
InChIInChI=1S/C12H19NS/c1-10-7-8-14-12(10)9-13-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9H2,1H3/p+1
InChIKeyNGMYCEGDKQRRPW-UHFFFAOYSA-O
MW210.37 g/mol
LogP2.45
Rot. Bonds3

About cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium

cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 7473498) has the molecular formula C12H20NS+ and a molecular weight of 210.37 g/mol. Its IUPAC name is cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID7473498
Molecular FormulaC12H20NS+
Molecular Weight210.37 g/mol
Exact Mass210.13
IUPAC Namecyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH2+]C1CCCCC1
InChIInChI=1S/C12H19NS/c1-10-7-8-14-12(10)9-13-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9H2,1H3/p+1
InChIKeyNGMYCEGDKQRRPW-UHFFFAOYSA-O
XLogP2.45
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium (CID 7473498) is cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium is Cc1ccsc1C[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is NGMYCEGDKQRRPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19NS/c1-10-7-8-14-12(10)9-13-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9H2,1H3/p+1.
What are the key properties of cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium?
cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 210.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 7473498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).