2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide

C9H18N2O4S — CID 82179993

IUPAC2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNCCS(=O)(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C9H18N2O4S/c10-3-5-16(13,14)7-9(12)11-6-8-2-1-4-15-8/h8H,1-7,10H2,(H,11,12)
InChIKeyBFNNOJFEDNIWNJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.34
Rot. Bonds6

About 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 82179993) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID82179993
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNCCS(=O)(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C9H18N2O4S/c10-3-5-16(13,14)7-9(12)11-6-8-2-1-4-15-8/h8H,1-7,10H2,(H,11,12)
InChIKeyBFNNOJFEDNIWNJ-UHFFFAOYSA-N
XLogP-1.34
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
CID 82180306
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025513
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94087831
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide (CID 82179993) is 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide is NCCS(=O)(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BFNNOJFEDNIWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c10-3-5-16(13,14)7-9(12)11-6-8-2-1-4-15-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 250.32 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 82179993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).