N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide

C15H34N2O2S — CID 118241714

IUPACN-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(C)C(C)(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-10-13(12-16(7)14(2,3)4)11-15(5,6)17(8)20(9,18)19/h13H,10-12H2,1-9H3
InChIKeyALASBCAGOZPJBZ-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.80
Rot. Bonds7

About N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide

N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (PubChem CID 118241714) has the molecular formula C15H34N2O2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
PubChem CID118241714
Molecular FormulaC15H34N2O2S
Molecular Weight306.52 g/mol
Exact Mass306.23
IUPAC NameN-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(C)C(C)(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C15H34N2O2S/c1-10-13(12-16(7)14(2,3)4)11-15(5,6)17(8)20(9,18)19/h13H,10-12H2,1-9H3
InChIKeyALASBCAGOZPJBZ-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methanesulfonamide, N,N-bis(2-ethylhexyl)-
CID 533127
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-[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-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947
Methylsulphonamide, N-ethyl-N-2-ethylhexyl-
CID 91715482
N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
CID 20780604
N-[2-[(1R,2R)-2-ethylcyclopropyl]ethyl]-N-(2-methylbutan-2-yl)methanesulfonamide
CID 70939973
N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide
CID 88980527
N-tert-butyl-N-(4-ethyl-5,5-dimethylhexyl)methanesulfonamide
CID 88980529

Frequently Asked Questions

What is the IUPAC name of N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (CID 118241714) is N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is CCC(CN(C)C(C)(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is ALASBCAGOZPJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2S/c1-10-13(12-16(7)14(2,3)4)11-15(5,6)17(8)20(9,18)19/h13H,10-12H2,1-9H3.
What are the key properties of N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 306.52 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[tert-butyl(methyl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).