N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide

C12H19F2NO2S — CID 58436051

IUPACN-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)F
InChIInChI=1S/C12H19F2NO2S/c13-11(14)18(16,17)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,15H,1-7H2
InChIKeyLVTMCQHWLNZZFV-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.34
Rot. Bonds4

About N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide

N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide (PubChem CID 58436051) has the molecular formula C12H19F2NO2S and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide
PubChem CID58436051
Molecular FormulaC12H19F2NO2S
Molecular Weight279.35 g/mol
Exact Mass279.11
IUPAC NameN-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)F
InChIInChI=1S/C12H19F2NO2S/c13-11(14)18(16,17)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,15H,1-7H2
InChIKeyLVTMCQHWLNZZFV-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 162648264
N-(3,5-dimethyl-1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 155124470
N-(3-ethyl-1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 177855036
4-Amino-1-(3-fluoro-1-adamantyl)butane-2-sulfonic acid
CID 11976125
3-amino-4-(2,2-difluoro-1-adamantyl)butane-1-sulfonic Acid
CID 11976181
2-(aminomethyl)-3-(4,4-difluoro-1-adamantyl)propane-1-sulfonic Acid
CID 11976184
3-amino-4-(4,4-difluoro-1-adamantyl)butane-1-sulfonic Acid
CID 11976185
2-(aminomethyl)-3-(2,2-difluoro-1-adamantyl)propane-1-sulfonic Acid
CID 11976186
N-[2-[2-(aminomethyl)-2-adamantyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888274
N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide
CID 58436034
N-(1-adamantylmethyl)-1,1-difluoroethanesulfonamide
CID 58436072
N-(1-adamantylmethyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58961970

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide (CID 58436051) is N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)C(F)F.
What is the InChIKey of N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is LVTMCQHWLNZZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2S/c13-11(14)18(16,17)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,15H,1-7H2.
What are the key properties of N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide?
N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 279.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 58436051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).