N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide

C11H22N2O4S — CID 106612468

IUPACN-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C11H22N2O4S/c1-18(16,17)8-4-11(15)13(6-7-14)9-10-3-2-5-12-10/h10,12,14H,2-9H2,1H3
InChIKeyAFZWVPGKZXMYKQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-1.01
Rot. Bonds7

About N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide

N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106612468) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106612468
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCS(=O)(=O)CCC(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C11H22N2O4S/c1-18(16,17)8-4-11(15)13(6-7-14)9-10-3-2-5-12-10/h10,12,14H,2-9H2,1H3
InChIKeyAFZWVPGKZXMYKQ-UHFFFAOYSA-N
XLogP-1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106612775
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612969
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-hydroxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106612534
N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106613013
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106612468) is N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide is CS(=O)(=O)CCC(=O)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is AFZWVPGKZXMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(16,17)8-4-11(15)13(6-7-14)9-10-3-2-5-12-10/h10,12,14H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide?
N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 278.37 g/mol, XLogP of -1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106612468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).