2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide

C11H21N3O4S — CID 63246610

IUPAC2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCNC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21N3O4S/c12-11(15)7-14(9-3-4-13-6-9)19(16,17)8-10-2-1-5-18-10/h9-10,13H,1-8H2,(H2,12,15)
InChIKeyMKMIEDCJNFLYIS-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.36
Rot. Bonds6

About 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide

2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63246610) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63246610
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
SMILESNC(=O)CN(C1CCNC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H21N3O4S/c12-11(15)7-14(9-3-4-13-6-9)19(16,17)8-10-2-1-5-18-10/h9-10,13H,1-8H2,(H2,12,15)
InChIKeyMKMIEDCJNFLYIS-UHFFFAOYSA-N
XLogP-1.36
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-yl)-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119976345
N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657
N-(2-amino-2-oxoethyl)-2-(oxolan-2-yl)-N-pyrrolidin-3-ylacetamide
CID 65157348
N-(2-amino-2-oxoethyl)-3-(oxolan-2-yl)-N-piperidin-3-ylpropanamide
CID 65156815
2-[3-(oxolan-2-yl)propyl-piperidin-4-ylamino]acetamide
CID 65162373
2-[ethyl(pyrrolidin-3-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 63299858
2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide
CID 60806186
2-[cyclopentyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
CID 65420484
2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide
CID 60801221
N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106599566
2-[methylsulfamoyl(piperidin-4-yl)amino]acetamide
CID 114810545
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646

Frequently Asked Questions

What is the IUPAC name of 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide (CID 63246610) is 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide is NC(=O)CN(C1CCNC1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is MKMIEDCJNFLYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c12-11(15)7-14(9-3-4-13-6-9)19(16,17)8-10-2-1-5-18-10/h9-10,13H,1-8H2,(H2,12,15).
What are the key properties of 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide?
2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 291.37 g/mol, XLogP of -1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63246610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).