N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide

C18H37NO5S — CID 70800089

IUPACN-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide
SMILESCC(O[C@H](CO[C@@H]1CCOC1)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C18H37NO5S/c1-14(17(2,3)4)24-16(13-23-15-9-10-22-12-15)11-19(18(5,6)7)25(8,20)21/h14-16H,9-13H2,1-8H3/t14?,15-,16+/m1/s1
InChIKeyCXOCWJXTYUUJGR-JAIYHHTPSA-N
MW379.56 g/mol
LogP2.67
Rot. Bonds8

About N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide

N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide (PubChem CID 70800089) has the molecular formula C18H37NO5S and a molecular weight of 379.56 g/mol. Its IUPAC name is N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide
PubChem CID70800089
Molecular FormulaC18H37NO5S
Molecular Weight379.56 g/mol
Exact Mass379.24
IUPAC NameN-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide
SMILESCC(O[C@H](CO[C@@H]1CCOC1)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C18H37NO5S/c1-14(17(2,3)4)24-16(13-23-15-9-10-22-12-15)11-19(18(5,6)7)25(8,20)21/h14-16H,9-13H2,1-8H3/t14?,15-,16+/m1/s1
InChIKeyCXOCWJXTYUUJGR-JAIYHHTPSA-N
XLogP2.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]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-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide (CID 70800089) is N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide is CC(O[C@H](CO[C@@H]1CCOC1)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide?
The InChIKey is CXOCWJXTYUUJGR-JAIYHHTPSA-N. The full InChI is InChI=1S/C18H37NO5S/c1-14(17(2,3)4)24-16(13-23-15-9-10-22-12-15)11-19(18(5,6)7)25(8,20)21/h14-16H,9-13H2,1-8H3/t14?,15-,16+/m1/s1.
What are the key properties of N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide?
N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide has a molecular weight of 379.56 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide is sourced from PubChem (CID 70800089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).