N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide

C11H21NO5S — CID 81131179

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCC1(O)CCOCC1
InChIInChI=1S/C11H21NO5S/c13-11(3-6-16-7-4-11)9-12-18(14,15)8-10-2-1-5-17-10/h10,12-13H,1-9H2
InChIKeyUAOSFFWTXHHOQP-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.37
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 81131179) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID81131179
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCC1(O)CCOCC1
InChIInChI=1S/C11H21NO5S/c13-11(3-6-16-7-4-11)9-12-18(14,15)8-10-2-1-5-17-10/h10,12-13H,1-9H2
InChIKeyUAOSFFWTXHHOQP-UHFFFAOYSA-N
XLogP-0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide (CID 81131179) is N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is UAOSFFWTXHHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c13-11(3-6-16-7-4-11)9-12-18(14,15)8-10-2-1-5-17-10/h10,12-13H,1-9H2.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 81131179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).