N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide

C18H34N2O4S2 — CID 123143002

IUPACN-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.CNS(C)(=O)=O
InChIInChI=1S/C16H27NO2S.C2H7NO2S/c1-10(2)13-8-14(11(3)4)16(20(18,19)17-7)15(9-13)12(5)6;1-3-6(2,4)5/h8-12,17H,1-7H3;3H,1-2H3
InChIKeyOOGNPXMTIWQWSA-UHFFFAOYSA-N
MW406.61 g/mol
LogP3.13
Rot. Bonds6

About N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 123143002) has the molecular formula C18H34N2O4S2 and a molecular weight of 406.61 g/mol. Its IUPAC name is N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID123143002
Molecular FormulaC18H34N2O4S2
Molecular Weight406.61 g/mol
Exact Mass406.20
IUPAC NameN-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.CNS(C)(=O)=O
InChIInChI=1S/C16H27NO2S.C2H7NO2S/c1-10(2)13-8-14(11(3)4)16(20(18,19)17-7)15(9-13)12(5)6;1-3-6(2,4)5/h8-12,17H,1-7H3;3H,1-2H3
InChIKeyOOGNPXMTIWQWSA-UHFFFAOYSA-N
XLogP3.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 123143002) is N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide is CNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.CNS(C)(=O)=O.
What is the InChIKey of N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is OOGNPXMTIWQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S.C2H7NO2S/c1-10(2)13-8-14(11(3)4)16(20(18,19)17-7)15(9-13)12(5)6;1-3-6(2,4)5/h8-12,17H,1-7H3;3H,1-2H3.
What are the key properties of N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 406.61 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 123143002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).