(2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide

C9H15NOS — CID 102483682

IUPAC(2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCS[C@@H]1CC2CC1[C@@H](C(N)=O)C2
InChIInChI=1S/C9H15NOS/c1-12-8-4-5-2-6(8)7(3-5)9(10)11/h5-8H,2-4H2,1H3,(H2,10,11)/t5?,6?,7-,8+/m0/s1
InChIKeyNTHFNYDLGJPRDH-RLXKETGRSA-N
MW185.29 g/mol
LogP1.25
Rot. Bonds2

About (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide

(2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 102483682) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID102483682
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCS[C@@H]1CC2CC1[C@@H](C(N)=O)C2
InChIInChI=1S/C9H15NOS/c1-12-8-4-5-2-6(8)7(3-5)9(10)11/h5-8H,2-4H2,1H3,(H2,10,11)/t5?,6?,7-,8+/m0/s1
InChIKeyNTHFNYDLGJPRDH-RLXKETGRSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide (CID 102483682) is (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide is CS[C@@H]1CC2CC1[C@@H](C(N)=O)C2.
What is the InChIKey of (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NTHFNYDLGJPRDH-RLXKETGRSA-N. The full InChI is InChI=1S/C9H15NOS/c1-12-8-4-5-2-6(8)7(3-5)9(10)11/h5-8H,2-4H2,1H3,(H2,10,11)/t5?,6?,7-,8+/m0/s1.
What are the key properties of (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide?
(2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 185.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 102483682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).