N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide

C10H23NO2S — CID 58469884

IUPACN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
SMILESCC(C)[C@H](N(C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)9(10(3,4)5)11(6)14(7,12)13/h8-9H,1-7H3/t9-/m0/s1
InChIKeyFGDSCHKPHHHYTC-VIFPVBQESA-N
MW221.37 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide

N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide (PubChem CID 58469884) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
PubChem CID58469884
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
SMILESCC(C)[C@H](N(C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)9(10(3,4)5)11(6)14(7,12)13/h8-9H,1-7H3/t9-/m0/s1
InChIKeyFGDSCHKPHHHYTC-VIFPVBQESA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide (CID 58469884) is N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide is CC(C)[C@H](N(C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
The InChIKey is FGDSCHKPHHHYTC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)9(10(3,4)5)11(6)14(7,12)13/h8-9H,1-7H3/t9-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide is sourced from PubChem (CID 58469884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).