N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide

C10H16N2O3S — CID 146100743

IUPACN-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CCCN1S(=O)(=O)CC
InChIInChI=1S/C10H16N2O3S/c1-3-10(13)11-8-9-6-5-7-12(9)16(14,15)4-2/h1,9H,4-8H2,2H3,(H,11,13)
InChIKeyOIMIKUZIMZIKOG-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.45
Rot. Bonds4

About N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide

N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide (PubChem CID 146100743) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide
PubChem CID146100743
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCC1CCCN1S(=O)(=O)CC
InChIInChI=1S/C10H16N2O3S/c1-3-10(13)11-8-9-6-5-7-12(9)16(14,15)4-2/h1,9H,4-8H2,2H3,(H,11,13)
InChIKeyOIMIKUZIMZIKOG-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
CID 61372468
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pentanamide
CID 110750211
3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 115316475
1-tert-butyl-3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]urea
CID 110749992
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 146127051
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
ethyl 2-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286054
2-(2-bicyclo[3.1.0]hexanyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]acetamide
CID 128558161
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584411

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide?
The IUPAC name of N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide (CID 146100743) is N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide is C#CC(=O)NCC1CCCN1S(=O)(=O)CC.
What is the InChIKey of N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide?
The InChIKey is OIMIKUZIMZIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-10(13)11-8-9-6-5-7-12(9)16(14,15)4-2/h1,9H,4-8H2,2H3,(H,11,13).
What are the key properties of N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide?
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide has a molecular weight of 244.32 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide is sourced from PubChem (CID 146100743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).