2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide

C10H20N2O3S — CID 119454185

IUPAC2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NC1CCNC1
InChIInChI=1S/C10H20N2O3S/c1-8(2)6-16(14,15)7-10(13)12-9-3-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyBLVMJPATIZUGIJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds5

About 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide

2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide (PubChem CID 119454185) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
PubChem CID119454185
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NC1CCNC1
InChIInChI=1S/C10H20N2O3S/c1-8(2)6-16(14,15)7-10(13)12-9-3-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyBLVMJPATIZUGIJ-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676145
2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119464478
N-pyrrolidin-3-ylpropanamide
CID 18337238
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
2-(diethylsulfamoyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119390469
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
CID 119453788
acetylene;propane;N-[(3S)-pyrrolidin-3-yl]propanamide
CID 143542096
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
CID 43603556
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide (CID 119454185) is 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide is CC(C)CS(=O)(=O)CC(=O)NC1CCNC1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is BLVMJPATIZUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)6-16(14,15)7-10(13)12-9-3-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide?
2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119454185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).