N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide

C15H33FN2O2S — CID 118241731

IUPACN-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CCF)C(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C15H33FN2O2S/c1-7-8-14(12-18(10-9-16)13(2)3)11-15(4,5)17-21(6,19)20/h13-14,17H,7-12H2,1-6H3
InChIKeySLBVLHCTCFLAFZ-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.80
Rot. Bonds11

About N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide

N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide (PubChem CID 118241731) has the molecular formula C15H33FN2O2S and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide
PubChem CID118241731
Molecular FormulaC15H33FN2O2S
Molecular Weight324.51 g/mol
Exact Mass324.22
IUPAC NameN-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CCF)C(C)C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C15H33FN2O2S/c1-7-8-14(12-18(10-9-16)13(2)3)11-15(4,5)17-21(6,19)20/h13-14,17H,7-12H2,1-6H3
InChIKeySLBVLHCTCFLAFZ-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[butan-2-yl(2-fluoroethyl)amino]-2,4-dimethylpentan-2-yl]-N-methylmethanesulfonamide
CID 88991751
N-methyl-N-[2-methyl-4-[[propan-2-yl(trifluoromethyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241721
N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241725
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241793
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241796
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241826
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241903
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947
N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241678
N-[2-methyl-4-[(propan-2-ylamino)methyl]heptan-2-yl]methanesulfonamide
CID 118241680
N-[4-[[ethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]methanesulfonamide
CID 118241728

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide (CID 118241731) is N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide is CCCC(CN(CCF)C(C)C)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide?
The InChIKey is SLBVLHCTCFLAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33FN2O2S/c1-7-8-14(12-18(10-9-16)13(2)3)11-15(4,5)17-21(6,19)20/h13-14,17H,7-12H2,1-6H3.
What are the key properties of N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide?
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide has a molecular weight of 324.51 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).