N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine

C15H21NS — CID 43539210

IUPACN-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cc(C)c2c(c1)C(NC1CC1)CC(C)S2
InChIInChI=1S/C15H21NS/c1-9-6-10(2)15-13(7-9)14(8-11(3)17-15)16-12-4-5-12/h6-7,11-12,14,16H,4-5,8H2,1-3H3
InChIKeyZKYYPGARMSODHZ-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.98
Rot. Bonds2

About N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine

N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539210) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539210
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1cc(C)c2c(c1)C(NC1CC1)CC(C)S2
InChIInChI=1S/C15H21NS/c1-9-6-10(2)15-13(7-9)14(8-11(3)17-15)16-12-4-5-12/h6-7,11-12,14,16H,4-5,8H2,1-3H3
InChIKeyZKYYPGARMSODHZ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539210) is N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine is Cc1cc(C)c2c(c1)C(NC1CC1)CC(C)S2.
What is the InChIKey of N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZKYYPGARMSODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-9-6-10(2)15-13(7-9)14(8-11(3)17-15)16-12-4-5-12/h6-7,11-12,14,16H,4-5,8H2,1-3H3.
What are the key properties of N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 247.41 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).