1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide

C13H21F2NO3S — CID 128579733

IUPAC1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1(F)F)NCC1=CCCOC1
InChIInChI=1S/C13H21F2NO3S/c14-13(15)6-2-1-5-12(13)10-20(17,18)16-8-11-4-3-7-19-9-11/h4,12,16H,1-3,5-10H2
InChIKeyUZIFRONMELXYED-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide

1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide (PubChem CID 128579733) has the molecular formula C13H21F2NO3S and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide
PubChem CID128579733
Molecular FormulaC13H21F2NO3S
Molecular Weight309.38 g/mol
Exact Mass309.12
IUPAC Name1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1(F)F)NCC1=CCCOC1
InChIInChI=1S/C13H21F2NO3S/c14-13(15)6-2-1-5-12(13)10-20(17,18)16-8-11-4-3-7-19-9-11/h4,12,16H,1-3,5-10H2
InChIKeyUZIFRONMELXYED-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,2-difluorocyclohexyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071630
N-(3,6-dihydro-2H-pyran-5-ylmethyl)azetidine-2-carboxamide
CID 131209393
N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide
CID 128576960
1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115742173
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
CID 115758147
2-[(2,2-difluorocyclopentyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067771
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
1-[(2,2-difluorocyclohexyl)methylsulfonyl]-3-methylsulfonylazetidine
CID 136546461
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 115741901
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
N-[(2,2-difluorocyclohexyl)methyl]-4-(2-methylsulfonylethyl)aniline
CID 167858346

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide (CID 128579733) is 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCCC1(F)F)NCC1=CCCOC1.
What is the InChIKey of 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide?
The InChIKey is UZIFRONMELXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO3S/c14-13(15)6-2-1-5-12(13)10-20(17,18)16-8-11-4-3-7-19-9-11/h4,12,16H,1-3,5-10H2.
What are the key properties of 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide?
1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide has a molecular weight of 309.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 128579733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).