7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine

C14H26N2OS — CID 88880987

IUPAC7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(CSN1CCOCC1)C(N)C2
InChIInChI=1S/C14H26N2OS/c1-13(2)11-3-4-14(13,12(15)9-11)10-18-16-5-7-17-8-6-16/h11-12H,3-10,15H2,1-2H3
InChIKeyZMMSJWBDIALZNG-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.12
Rot. Bonds3

About 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine

7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 88880987) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID88880987
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(CSN1CCOCC1)C(N)C2
InChIInChI=1S/C14H26N2OS/c1-13(2)11-3-4-14(13,12(15)9-11)10-18-16-5-7-17-8-6-16/h11-12H,3-10,15H2,1-2H3
InChIKeyZMMSJWBDIALZNG-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 88880987) is 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(CSN1CCOCC1)C(N)C2.
What is the InChIKey of 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZMMSJWBDIALZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-13(2)11-3-4-14(13,12(15)9-11)10-18-16-5-7-17-8-6-16/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine?
7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(morpholin-4-ylsulfanylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 88880987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).