2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C12H23ClN2O3S — CID 119512891

IUPAC2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCS(=O)(=O)CC1(CC(=O)NCC2CCCN2)CC1.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-18(16,17)9-12(4-5-12)7-11(15)14-8-10-3-2-6-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyGYZMGXRHPKMALF-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.49
Rot. Bonds6

About 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119512891) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119512891
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCS(=O)(=O)CC1(CC(=O)NCC2CCCN2)CC1.Cl
InChIInChI=1S/C12H22N2O3S.ClH/c1-18(16,17)9-12(4-5-12)7-11(15)14-8-10-3-2-6-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyGYZMGXRHPKMALF-UHFFFAOYSA-N
XLogP0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
2-cyclopentylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510625
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513490
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
CID 119512367
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
CID 119512467

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119512891) is 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is CS(=O)(=O)CC1(CC(=O)NCC2CCCN2)CC1.Cl.
What is the InChIKey of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is GYZMGXRHPKMALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c1-18(16,17)9-12(4-5-12)7-11(15)14-8-10-3-2-6-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H.
What are the key properties of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119512891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).