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

C9H21NO2S — CID 58468877

IUPACN-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)8(9(3,4)5)10-13(6,11)12/h7-8,10H,1-6H3/t8-/m0/s1
InChIKeyQADRCVZGWJGXSO-QMMMGPOBSA-N
MW207.34 g/mol
LogP1.61
Rot. Bonds3

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

N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide (PubChem CID 58468877) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
PubChem CID58468877
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)8(9(3,4)5)10-13(6,11)12/h7-8,10H,1-6H3/t8-/m0/s1
InChIKeyQADRCVZGWJGXSO-QMMMGPOBSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide (CID 58468877) is N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide is CC(C)[C@H](NS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
The InChIKey is QADRCVZGWJGXSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-7(2)8(9(3,4)5)10-13(6,11)12/h7-8,10H,1-6H3/t8-/m0/s1.
What are the key properties of N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide?
N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,2,4-trimethylpentan-3-yl]methanesulfonamide is sourced from PubChem (CID 58468877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).