N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine

C14H24F2N2O2S — CID 75431534

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESO=S(=O)(C(F)F)N1CCC(CNCC2CC=CCC2)CC1
InChIInChI=1S/C14H24F2N2O2S/c15-14(16)21(19,20)18-8-6-13(7-9-18)11-17-10-12-4-2-1-3-5-12/h1-2,12-14,17H,3-11H2
InChIKeyMPINJACSSUTOIG-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.20
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine

N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 75431534) has the molecular formula C14H24F2N2O2S and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID75431534
Molecular FormulaC14H24F2N2O2S
Molecular Weight322.42 g/mol
Exact Mass322.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
SMILESO=S(=O)(C(F)F)N1CCC(CNCC2CC=CCC2)CC1
InChIInChI=1S/C14H24F2N2O2S/c15-14(16)21(19,20)18-8-6-13(7-9-18)11-17-10-12-4-2-1-3-5-12/h1-2,12-14,17H,3-11H2
InChIKeyMPINJACSSUTOIG-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine (CID 75431534) is N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine is O=S(=O)(C(F)F)N1CCC(CNCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is MPINJACSSUTOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2S/c15-14(16)21(19,20)18-8-6-13(7-9-18)11-17-10-12-4-2-1-3-5-12/h1-2,12-14,17H,3-11H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 322.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 75431534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).