2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide

C12H25NO4S — CID 102608521

IUPAC2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COC1COC1)CS(N)(=O)=O
InChIInChI=1S/C12H25NO4S/c1-3-5-12(6-4-2,10-18(13,14)15)9-17-11-7-16-8-11/h11H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyWOZXNXUGRXCZGW-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.28
Rot. Bonds9

About 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide

2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide (PubChem CID 102608521) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide.

Molecular Properties

Compound Name2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide
PubChem CID102608521
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COC1COC1)CS(N)(=O)=O
InChIInChI=1S/C12H25NO4S/c1-3-5-12(6-4-2,10-18(13,14)15)9-17-11-7-16-8-11/h11H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyWOZXNXUGRXCZGW-UHFFFAOYSA-N
XLogP1.28
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethoxymethyl)-2-propylpentane-1-sulfonamide
CID 65005013
2-[(4-methylcyclohexyl)oxymethyl]-2-propylpentane-1-sulfonyl chloride
CID 65005103
5-(oxetan-3-yloxy)pentane-1-sulfonamide
CID 102608527
2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid
CID 102605319
ethyl 2-(ethylamino)-2-methyl-3-(oxetan-3-yloxy)propanoate
CID 102607480
2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride
CID 65003827
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734
2-(3-methylbutoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 65005057
(3S)-3-(4-methyloctan-4-yloxy)oxolane
CID 154936656
2-(2-cyclobutylethoxymethyl)-2-propylpentane-1-sulfonyl chloride
CID 114158126
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
CID 102607546

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide?
The IUPAC name of 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide (CID 102608521) is 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide.
What is the SMILES notation for 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide?
The canonical SMILES for 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide is CCCC(CCC)(COC1COC1)CS(N)(=O)=O.
What is the InChIKey of 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide?
The InChIKey is WOZXNXUGRXCZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-3-5-12(6-4-2,10-18(13,14)15)9-17-11-7-16-8-11/h11H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide?
2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxymethyl)-2-propylpentane-1-sulfonamide is sourced from PubChem (CID 102608521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).