N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide

C16H28N4O3S — CID 156603804

IUPACN-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
SMILESCC(C)C1CN(Cc2nccn2C)CC1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C16H28N4O3S/c1-12(2)13-9-20(11-15-17-6-7-19(15)3)10-14(13)18-16(21)5-8-24(4,22)23/h6-7,12-14H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyLUIUJNAUJHDJPN-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.43
Rot. Bonds7

About N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide

N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide (PubChem CID 156603804) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
PubChem CID156603804
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC NameN-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
SMILESCC(C)C1CN(Cc2nccn2C)CC1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C16H28N4O3S/c1-12(2)13-9-20(11-15-17-6-7-19(15)3)10-14(13)18-16(21)5-8-24(4,22)23/h6-7,12-14H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyLUIUJNAUJHDJPN-UHFFFAOYSA-N
XLogP0.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 156603401
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 72882396
3-amino-1-(1-methylimidazol-2-yl)-5-methylsulfonylpentan-2-one
CID 116552034
N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154899022
N-[(3R,4S)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-hydroxypropanamide
CID 72887646
3,3,3-trifluoro-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]propanamide;dihydrochloride
CID 154899068
N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133205
N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156606607
3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide
CID 72837173
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
CID 78926351
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide (CID 156603804) is N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide is CC(C)C1CN(Cc2nccn2C)CC1NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
The InChIKey is LUIUJNAUJHDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-12(2)13-9-20(11-15-17-6-7-19(15)3)10-14(13)18-16(21)5-8-24(4,22)23/h6-7,12-14H,5,8-11H2,1-4H3,(H,18,21).
What are the key properties of N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide?
N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide has a molecular weight of 356.49 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 156603804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).