N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine

C11H17NS — CID 143108406

IUPACN-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCCCSC1=C(NC)C=CC2CC12
InChIInChI=1S/C11H17NS/c1-3-6-13-11-9-7-8(9)4-5-10(11)12-2/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyRKXLUZCBBMRGPS-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine

N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 143108406) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound NameN-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID143108406
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCCCSC1=C(NC)C=CC2CC12
InChIInChI=1S/C11H17NS/c1-3-6-13-11-9-7-8(9)4-5-10(11)12-2/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyRKXLUZCBBMRGPS-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 143108406) is N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine is CCCSC1=C(NC)C=CC2CC12.
What is the InChIKey of N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is RKXLUZCBBMRGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-6-13-11-9-7-8(9)4-5-10(11)12-2/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 195.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propylsulfanylbicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 143108406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).