2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C10H21ClN2O3S — CID 119510423

IUPAC2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCCS(=O)(=O)CC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-2-6-16(14,15)8-10(13)12-7-9-4-3-5-11-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyHCNPUWKJBWGJON-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.10
Rot. Bonds6

About 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119510423) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119510423
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCCCS(=O)(=O)CC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-2-6-16(14,15)8-10(13)12-7-9-4-3-5-11-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyHCNPUWKJBWGJON-UHFFFAOYSA-N
XLogP0.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
CID 119514735
N-propylsulfonyl-2-pyrrolidin-2-ylacetamide
CID 103307605
N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119510423) is 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is CCCS(=O)(=O)CC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is HCNPUWKJBWGJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c1-2-6-16(14,15)8-10(13)12-7-9-4-3-5-11-9;/h9,11H,2-8H2,1H3,(H,12,13);1H.
What are the key properties of 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119510423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).