N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine

C12H17NS — CID 130525428

IUPACN-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
SMILESc1cc(CNC2CCCC3CC32)cs1
InChIInChI=1S/C12H17NS/c1-2-10-6-11(10)12(3-1)13-7-9-4-5-14-8-9/h4-5,8,10-13H,1-3,6-7H2
InChIKeyFPSXSJMPTBOGNZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.03
Rot. Bonds3

About N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine

N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine (PubChem CID 130525428) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
PubChem CID130525428
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
SMILESc1cc(CNC2CCCC3CC32)cs1
InChIInChI=1S/C12H17NS/c1-2-10-6-11(10)12(3-1)13-7-9-4-5-14-8-9/h4-5,8,10-13H,1-3,6-7H2
InChIKeyFPSXSJMPTBOGNZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine (CID 130525428) is N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine is c1cc(CNC2CCCC3CC32)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine?
The InChIKey is FPSXSJMPTBOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-10-6-11(10)12(3-1)13-7-9-4-5-14-8-9/h4-5,8,10-13H,1-3,6-7H2.
What are the key properties of N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine?
N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 130525428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).