N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine

C15H28N2O3S — CID 64864069

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C15H28N2O3S/c1-4-21(18,19)17-8-5-11(6-9-17)16-13-12-7-10-20-14(12)15(13,2)3/h11-14,16H,4-10H2,1-3H3
InChIKeySCPNMRWLSYYEFB-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.20
Rot. Bonds4

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine (PubChem CID 64864069) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine
PubChem CID64864069
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C15H28N2O3S/c1-4-21(18,19)17-8-5-11(6-9-17)16-13-12-7-10-20-14(12)15(13,2)3/h11-14,16H,4-10H2,1-3H3
InChIKeySCPNMRWLSYYEFB-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine (CID 64864069) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NC2C3CCOC3C2(C)C)CC1.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is SCPNMRWLSYYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-21(18,19)17-8-5-11(6-9-17)16-13-12-7-10-20-14(12)15(13,2)3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 316.47 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 64864069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).