N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide

C15H19NOS — CID 18555874

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H19NOS/c17-15(10-18-13-4-2-1-3-5-13)16-14-9-11-6-7-12(14)8-11/h1-5,11-12,14H,6-10H2,(H,16,17)/t11-,12-,14-/m1/s1
InChIKeyBABOLYHWOYNOEE-YRGRVCCFSA-N
MW261.39 g/mol
LogP3.08
Rot. Bonds4

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide (PubChem CID 18555874) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
PubChem CID18555874
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H19NOS/c17-15(10-18-13-4-2-1-3-5-13)16-14-9-11-6-7-12(14)8-11/h1-5,11-12,14H,6-10H2,(H,16,17)/t11-,12-,14-/m1/s1
InChIKeyBABOLYHWOYNOEE-YRGRVCCFSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide (CID 18555874) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide?
The InChIKey is BABOLYHWOYNOEE-YRGRVCCFSA-N. The full InChI is InChI=1S/C15H19NOS/c17-15(10-18-13-4-2-1-3-5-13)16-14-9-11-6-7-12(14)8-11/h1-5,11-12,14H,6-10H2,(H,16,17)/t11-,12-,14-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide has a molecular weight of 261.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 18555874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).