2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide

C12H18N2O3S — CID 55014409

IUPAC2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C12H18N2O3S/c13-11-6-1-2-7-12(11)18(15,16)14-9-10-5-3-4-8-17-10/h1-2,6-7,10,14H,3-5,8-9,13H2
InChIKeyDLGRPQCJEOAUOB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide

2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide (PubChem CID 55014409) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
PubChem CID55014409
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C12H18N2O3S/c13-11-6-1-2-7-12(11)18(15,16)14-9-10-5-3-4-8-17-10/h1-2,6-7,10,14H,3-5,8-9,13H2
InChIKeyDLGRPQCJEOAUOB-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
CID 62021688
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594265
3-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
3-amino-1-methyl-N-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 55014323
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 94183015
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide (CID 55014409) is 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DLGRPQCJEOAUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-11-6-1-2-7-12(11)18(15,16)14-9-10-5-3-4-8-17-10/h1-2,6-7,10,14H,3-5,8-9,13H2.
What are the key properties of 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide?
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 55014409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).