N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide

C11H23NO3S — CID 100744625

IUPACN-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide
SMILESCOCC[C@H](NS(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-11(2,3)10(7-8-15-4)12-16(13,14)9-5-6-9/h9-10,12H,5-8H2,1-4H3/t10-/m0/s1
InChIKeySGRXQPXTRPEZMT-JTQLQIEISA-N
MW249.38 g/mol
LogP1.52
Rot. Bonds6

About N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide

N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide (PubChem CID 100744625) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide
PubChem CID100744625
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide
SMILESCOCC[C@H](NS(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-11(2,3)10(7-8-15-4)12-16(13,14)9-5-6-9/h9-10,12H,5-8H2,1-4H3/t10-/m0/s1
InChIKeySGRXQPXTRPEZMT-JTQLQIEISA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide (CID 100744625) is N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide is COCC[C@H](NS(=O)(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide?
The InChIKey is SGRXQPXTRPEZMT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,3)10(7-8-15-4)12-16(13,14)9-5-6-9/h9-10,12H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide?
N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 100744625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).