3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

C12H24N2O3S — CID 131890705

IUPAC3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CCC(CNC(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-10(2)14-6-4-11(9-14)8-13-12(15)5-7-18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyQWXJBVJVGZWAOH-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.27
Rot. Bonds6

About 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 131890705) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
PubChem CID131890705
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CCC(CNC(=O)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-10(2)14-6-4-11(9-14)8-13-12(15)5-7-18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyQWXJBVJVGZWAOH-UHFFFAOYSA-N
XLogP0.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
2-piperidin-4-yloxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 63875880
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
(2S)-2-hydroxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 107839496
N-methyl-N-[2-oxo-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 51096132

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (CID 131890705) is 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is CC(C)N1CCC(CNC(=O)CCS(C)(=O)=O)C1.
What is the InChIKey of 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is QWXJBVJVGZWAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(2)14-6-4-11(9-14)8-13-12(15)5-7-18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 276.40 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 131890705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).