N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide

C18H25NOS — CID 51186945

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NOS/c1-12-3-4-21-16(12)11-19(2)17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-11H2,1-2H3
InChIKeyXZSLGHXKJJBTBO-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.23
Rot. Bonds3

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide (PubChem CID 51186945) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
PubChem CID51186945
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NOS/c1-12-3-4-21-16(12)11-19(2)17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-11H2,1-2H3
InChIKeyXZSLGHXKJJBTBO-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide (CID 51186945) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide is Cc1ccsc1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
The InChIKey is XZSLGHXKJJBTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-12-3-4-21-16(12)11-19(2)17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-15H,5-11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide has a molecular weight of 303.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 51186945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).