N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide

C17H27NO3S — CID 164629917

IUPACN-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCC(C)(C)[C@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1
InChIInChI=1S/C17H27NO3S/c1-17(2,3)16(15-7-5-4-6-8-15)18-22(19,20)13-14-9-11-21-12-10-14/h4-8,14,16,18H,9-13H2,1-3H3/t16-/m1/s1
InChIKeyRGCRQEYWHQKVLE-MRXNPFEDSA-N
MW325.47 g/mol
LogP3.12
Rot. Bonds5

About N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide

N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 164629917) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID164629917
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCC(C)(C)[C@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1
InChIInChI=1S/C17H27NO3S/c1-17(2,3)16(15-7-5-4-6-8-15)18-22(19,20)13-14-9-11-21-12-10-14/h4-8,14,16,18H,9-13H2,1-3H3/t16-/m1/s1
InChIKeyRGCRQEYWHQKVLE-MRXNPFEDSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide (CID 164629917) is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide is CC(C)(C)[C@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is RGCRQEYWHQKVLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-17(2,3)16(15-7-5-4-6-8-15)18-22(19,20)13-14-9-11-21-12-10-14/h4-8,14,16,18H,9-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide?
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 164629917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).