2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol

C15H29NOS — CID 103784786

IUPAC2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H29NOS/c1-13(2)11-6-7-15(13,4)12(8-11)16-9-14(3,17)10-18-5/h11-12,16-17H,6-10H2,1-5H3
InChIKeyPWKHGSOQGAKBGP-UHFFFAOYSA-N
MW271.47 g/mol
LogP2.90
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol (PubChem CID 103784786) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol
PubChem CID103784786
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C15H29NOS/c1-13(2)11-6-7-15(13,4)12(8-11)16-9-14(3,17)10-18-5/h11-12,16-17H,6-10H2,1-5H3
InChIKeyPWKHGSOQGAKBGP-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol (CID 103784786) is 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol is CSCC(C)(O)CNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol?
The InChIKey is PWKHGSOQGAKBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-13(2)11-6-7-15(13,4)12(8-11)16-9-14(3,17)10-18-5/h11-12,16-17H,6-10H2,1-5H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol has a molecular weight of 271.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol is sourced from PubChem (CID 103784786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).