1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine

C16H30N2O2S — CID 63023322

IUPAC1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine
SMILESCC1(C)C2CCC1(C)C(NC1CCN(S(C)(=O)=O)CC1)C2
InChIInChI=1S/C16H30N2O2S/c1-15(2)12-5-8-16(15,3)14(11-12)17-13-6-9-18(10-7-13)21(4,19)20/h12-14,17H,5-11H2,1-4H3
InChIKeyWVXDGMWMLBDHMV-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.21
Rot. Bonds3

About 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine

1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine (PubChem CID 63023322) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine
PubChem CID63023322
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine
SMILESCC1(C)C2CCC1(C)C(NC1CCN(S(C)(=O)=O)CC1)C2
InChIInChI=1S/C16H30N2O2S/c1-15(2)12-5-8-16(15,3)14(11-12)17-13-6-9-18(10-7-13)21(4,19)20/h12-14,17H,5-11H2,1-4H3
InChIKeyWVXDGMWMLBDHMV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine (CID 63023322) is 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine is CC1(C)C2CCC1(C)C(NC1CCN(S(C)(=O)=O)CC1)C2.
What is the InChIKey of 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine?
The InChIKey is WVXDGMWMLBDHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-15(2)12-5-8-16(15,3)14(11-12)17-13-6-9-18(10-7-13)21(4,19)20/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine?
1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine has a molecular weight of 314.50 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidin-4-amine is sourced from PubChem (CID 63023322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).