N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide

C12H18N2O3S — CID 43208091

IUPACN-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-12-4-2-3-11(7-12)13-8-10-5-6-17-9-10/h2-4,7,10,13-14H,5-6,8-9H2,1H3
InChIKeyNAZGUZNORGVUOH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide

N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 43208091) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
PubChem CID43208091
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-12-4-2-3-11(7-12)13-8-10-5-6-17-9-10/h2-4,7,10,13-14H,5-6,8-9H2,1H3
InChIKeyNAZGUZNORGVUOH-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide (CID 43208091) is N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NCC2CCOC2)c1.
What is the InChIKey of N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is NAZGUZNORGVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(15,16)14-12-4-2-3-11(7-12)13-8-10-5-6-17-9-10/h2-4,7,10,13-14H,5-6,8-9H2,1H3.
What are the key properties of N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide?
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43208091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).