2-(oxolan-3-ylmethylamino)ethanesulfonamide

C7H16N2O3S — CID 43551821

IUPAC2-(oxolan-3-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCOC1
InChIInChI=1S/C7H16N2O3S/c8-13(10,11)4-2-9-5-7-1-3-12-6-7/h7,9H,1-6H2,(H2,8,10,11)
InChIKeyLVJCVMJOSIWICL-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.10
Rot. Bonds5

About 2-(oxolan-3-ylmethylamino)ethanesulfonamide

2-(oxolan-3-ylmethylamino)ethanesulfonamide (PubChem CID 43551821) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)ethanesulfonamide
PubChem CID43551821
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(oxolan-3-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCOC1
InChIInChI=1S/C7H16N2O3S/c8-13(10,11)4-2-9-5-7-1-3-12-6-7/h7,9H,1-6H2,(H2,8,10,11)
InChIKeyLVJCVMJOSIWICL-UHFFFAOYSA-N
XLogP-1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxolan-3-ylmethylamino)ethyl]methanesulfonamide
CID 43208180
N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 55119441
N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55119442
3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
CID 56805796
2-methylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine
CID 60921048
N-ethyl-N-[3-(oxolan-3-ylmethylamino)propyl]methanesulfonamide
CID 61013538
3-methylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 61019969
2-ethylsulfonyl-N-(oxolan-3-ylmethyl)ethanamine
CID 61039071
N-(oxolan-3-ylmethyl)propane-2-sulfonamide
CID 61357388
N-(oxolan-3-ylmethyl)propane-1-sulfonamide
CID 61384166
3-(Oxolan-3-ylmethylamino)propane-1-sulfonamide
CID 61902468
N-ethyl-N-(oxolan-3-ylmethyl)ethanesulfonamide
CID 62045787

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(oxolan-3-ylmethylamino)ethanesulfonamide (CID 43551821) is 2-(oxolan-3-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)ethanesulfonamide?
The InChIKey is LVJCVMJOSIWICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-13(10,11)4-2-9-5-7-1-3-12-6-7/h7,9H,1-6H2,(H2,8,10,11).
What are the key properties of 2-(oxolan-3-ylmethylamino)ethanesulfonamide?
2-(oxolan-3-ylmethylamino)ethanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 43551821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).