2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine

C16H23NS — CID 43538985

IUPAC2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine
SMILESCCCNC1CC(C)Sc2cc3c(cc21)CCC3
InChIInChI=1S/C16H23NS/c1-3-7-17-15-8-11(2)18-16-10-13-6-4-5-12(13)9-14(15)16/h9-11,15,17H,3-8H2,1-2H3
InChIKeyYYVXYCJGJNXEST-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.10
Rot. Bonds3

About 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine

2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine (PubChem CID 43538985) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine
PubChem CID43538985
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine
SMILESCCCNC1CC(C)Sc2cc3c(cc21)CCC3
InChIInChI=1S/C16H23NS/c1-3-7-17-15-8-11(2)18-16-10-13-6-4-5-12(13)9-14(15)16/h9-11,15,17H,3-8H2,1-2H3
InChIKeyYYVXYCJGJNXEST-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine?
The IUPAC name of 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine (CID 43538985) is 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine?
The canonical SMILES for 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine is CCCNC1CC(C)Sc2cc3c(cc21)CCC3.
What is the InChIKey of 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine?
The InChIKey is YYVXYCJGJNXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-3-7-17-15-8-11(2)18-16-10-13-6-4-5-12(13)9-14(15)16/h9-11,15,17H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine?
2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine has a molecular weight of 261.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine is sourced from PubChem (CID 43538985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).