N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide

C12H27NO4S — CID 88991593

IUPACN-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
SMILESCCC(CC)OCC(CNS(C)(=O)=O)OC(C)C
InChIInChI=1S/C12H27NO4S/c1-6-11(7-2)16-9-12(17-10(3)4)8-13-18(5,14)15/h10-13H,6-9H2,1-5H3
InChIKeyLNUHAIQAZQIIIK-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.53
Rot. Bonds10

About N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide

N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide (PubChem CID 88991593) has the molecular formula C12H27NO4S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
PubChem CID88991593
Molecular FormulaC12H27NO4S
Molecular Weight281.42 g/mol
Exact Mass281.17
IUPAC NameN-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
SMILESCCC(CC)OCC(CNS(C)(=O)=O)OC(C)C
InChIInChI=1S/C12H27NO4S/c1-6-11(7-2)16-9-12(17-10(3)4)8-13-18(5,14)15/h10-13H,6-9H2,1-5H3
InChIKeyLNUHAIQAZQIIIK-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide?
The IUPAC name of N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide (CID 88991593) is N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide.
What is the SMILES notation for N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide?
The canonical SMILES for N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide is CCC(CC)OCC(CNS(C)(=O)=O)OC(C)C.
What is the InChIKey of N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide?
The InChIKey is LNUHAIQAZQIIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4S/c1-6-11(7-2)16-9-12(17-10(3)4)8-13-18(5,14)15/h10-13H,6-9H2,1-5H3.
What are the key properties of N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide?
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 1.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide is sourced from PubChem (CID 88991593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).