3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide

C11H24N2O3S — CID 56805796

IUPAC3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCCN(CCCS(=O)(=O)NC)CC1CCOC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(9-11-5-7-16-10-11)6-4-8-17(14,15)12-2/h11-12H,3-10H2,1-2H3
InChIKeyLVKQPYWBBDYLOB-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.28
Rot. Bonds8

About 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide

3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide (PubChem CID 56805796) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
PubChem CID56805796
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCCN(CCCS(=O)(=O)NC)CC1CCOC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(9-11-5-7-16-10-11)6-4-8-17(14,15)12-2/h11-12H,3-10H2,1-2H3
InChIKeyLVKQPYWBBDYLOB-UHFFFAOYSA-N
XLogP0.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(tetrahydro-3-furanyl)methyl]-3-Azetidinesulfonamide
CID 137402497
N-[2-(oxolan-3-ylmethylamino)ethyl]methanesulfonamide
CID 43208180
2-(Oxolan-3-ylmethylamino)ethanesulfonamide
CID 43551821
N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55119442
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 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide (CID 56805796) is 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide is CCN(CCCS(=O)(=O)NC)CC1CCOC1.
What is the InChIKey of 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
The InChIKey is LVKQPYWBBDYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-13(9-11-5-7-16-10-11)6-4-8-17(14,15)12-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide?
3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-3-ylmethyl)amino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 56805796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).