N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide

C10H23NO6S — CID 88991651

IUPACN-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)COCC(O)CO
InChIInChI=1S/C10H23NO6S/c1-8(2)17-10(4-11-18(3,14)15)7-16-6-9(13)5-12/h8-13H,4-7H2,1-3H3
InChIKeyHZJWHWKSBHTGBZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP-1.30
Rot. Bonds10

About N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide

N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide (PubChem CID 88991651) has the molecular formula C10H23NO6S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide
PubChem CID88991651
Molecular FormulaC10H23NO6S
Molecular Weight285.36 g/mol
Exact Mass285.12
IUPAC NameN-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)OC(CNS(C)(=O)=O)COCC(O)CO
InChIInChI=1S/C10H23NO6S/c1-8(2)17-10(4-11-18(3,14)15)7-16-6-9(13)5-12/h8-13H,4-7H2,1-3H3
InChIKeyHZJWHWKSBHTGBZ-UHFFFAOYSA-N
XLogP-1.30
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide (CID 88991651) is N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide is CC(C)OC(CNS(C)(=O)=O)COCC(O)CO.
What is the InChIKey of N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide?
The InChIKey is HZJWHWKSBHTGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO6S/c1-8(2)17-10(4-11-18(3,14)15)7-16-6-9(13)5-12/h8-13H,4-7H2,1-3H3.
What are the key properties of N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide?
N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide has a molecular weight of 285.36 g/mol, XLogP of -1.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide is sourced from PubChem (CID 88991651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).