2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide

C14H24N2O6S — CID 167778953

IUPAC2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESO=C(CS(=O)(=O)CCO)N[C@@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C14H24N2O6S/c17-5-8-23(20,21)10-13(18)15-12-1-4-16(9-12)14(19)11-2-6-22-7-3-11/h11-12,17H,1-10H2,(H,15,18)/t12-/m1/s1
InChIKeyBMQULBOKEHLSTA-GFCCVEGCSA-N
MW348.42 g/mol
LogP-1.46
Rot. Bonds6

About 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide

2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 167778953) has the molecular formula C14H24N2O6S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID167778953
Molecular FormulaC14H24N2O6S
Molecular Weight348.42 g/mol
Exact Mass348.14
IUPAC Name2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESO=C(CS(=O)(=O)CCO)N[C@@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C14H24N2O6S/c17-5-8-23(20,21)10-13(18)15-12-1-4-16(9-12)14(19)11-2-6-22-7-3-11/h11-12,17H,1-10H2,(H,15,18)/t12-/m1/s1
InChIKeyBMQULBOKEHLSTA-GFCCVEGCSA-N
XLogP-1.46
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 110871493
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
cyclopropyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 172908968
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119808786
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide (CID 167778953) is 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide is O=C(CS(=O)(=O)CCO)N[C@@H]1CCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is BMQULBOKEHLSTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O6S/c17-5-8-23(20,21)10-13(18)15-12-1-4-16(9-12)14(19)11-2-6-22-7-3-11/h11-12,17H,1-10H2,(H,15,18)/t12-/m1/s1.
What are the key properties of 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide?
2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 348.42 g/mol, XLogP of -1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfonyl)-N-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 167778953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).