(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine

C14H19NS — CID 65141808

IUPAC(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
SMILESNCC1(Sc2ccccc2)CC2(CCC2)C1
InChIInChI=1S/C14H19NS/c15-11-14(9-13(10-14)7-4-8-13)16-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2
InChIKeyYLMMQFQSYFVMTF-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.44
Rot. Bonds3

About (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine

(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine (PubChem CID 65141808) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine.

Molecular Properties

Compound Name(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
PubChem CID65141808
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
SMILESNCC1(Sc2ccccc2)CC2(CCC2)C1
InChIInChI=1S/C14H19NS/c15-11-14(9-13(10-14)7-4-8-13)16-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2
InChIKeyYLMMQFQSYFVMTF-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine?
The IUPAC name of (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine (CID 65141808) is (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine.
What is the SMILES notation for (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine?
The canonical SMILES for (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine is NCC1(Sc2ccccc2)CC2(CCC2)C1.
What is the InChIKey of (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine?
The InChIKey is YLMMQFQSYFVMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c15-11-14(9-13(10-14)7-4-8-13)16-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2.
What are the key properties of (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine?
(2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine has a molecular weight of 233.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylsulfanylspiro[3.3]heptan-2-yl)methanamine is sourced from PubChem (CID 65141808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).