2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine

C11H19NS — CID 164657382

IUPAC2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine
SMILESNC(C1CSC1)C1CC2CCC1C2
InChIInChI=1S/C11H19NS/c12-11(9-5-13-6-9)10-4-7-1-2-8(10)3-7/h7-11H,1-6,12H2
InChIKeyWCTXOCQDWXTYKU-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.11
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine

2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine (PubChem CID 164657382) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine
PubChem CID164657382
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine
SMILESNC(C1CSC1)C1CC2CCC1C2
InChIInChI=1S/C11H19NS/c12-11(9-5-13-6-9)10-4-7-1-2-8(10)3-7/h7-11H,1-6,12H2
InChIKeyWCTXOCQDWXTYKU-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine with MolForge

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Related Compounds

amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine
CID 70429779
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
CID 130494691
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 11252164
1-benzothiophen-2-yl(2-bicyclo[2.2.1]heptanyl)methanamine
CID 114246857
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine (CID 164657382) is 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine is NC(C1CSC1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine?
The InChIKey is WCTXOCQDWXTYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c12-11(9-5-13-6-9)10-4-7-1-2-8(10)3-7/h7-11H,1-6,12H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine?
2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine has a molecular weight of 197.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl(thietan-3-yl)methanamine is sourced from PubChem (CID 164657382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).