N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide

C12H21NO2S — CID 95091765

IUPACN-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide
SMILESCC12C[C@H]3C[C@@H](C1)CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C12H21NO2S/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-16(2,14)15/h9-10,13H,3-8H2,1-2H3/t9-,10+,11?,12?
InChIKeyUGKGJYBOURDDHV-ZYANWLCNSA-N
MW243.37 g/mol
LogP1.89
Rot. Bonds2

About N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide

N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide (PubChem CID 95091765) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide
PubChem CID95091765
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide
SMILESCC12C[C@H]3C[C@@H](C1)CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C12H21NO2S/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-16(2,14)15/h9-10,13H,3-8H2,1-2H3/t9-,10+,11?,12?
InChIKeyUGKGJYBOURDDHV-ZYANWLCNSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide?
The IUPAC name of N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide (CID 95091765) is N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide.
What is the SMILES notation for N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide?
The canonical SMILES for N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide is CC12C[C@H]3C[C@@H](C1)CC(NS(C)(=O)=O)(C3)C2.
What is the InChIKey of N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide?
The InChIKey is UGKGJYBOURDDHV-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-16(2,14)15/h9-10,13H,3-8H2,1-2H3/t9-,10+,11?,12?.
What are the key properties of N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide?
N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-3-methyl-1-adamantyl]methanesulfonamide is sourced from PubChem (CID 95091765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).