2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide

C11H20N4O3S — CID 54873657

IUPAC2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide
SMILESCN(Cc1nccn1C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-14-6-5-13-10(14)8-15(2)11(16)9(12)4-7-19(3,17)18/h5-6,9H,4,7-8,12H2,1-3H3
InChIKeyPCYONCRULFTMOA-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.86
Rot. Bonds6

About 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide

2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide (PubChem CID 54873657) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide
PubChem CID54873657
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide
SMILESCN(Cc1nccn1C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-14-6-5-13-10(14)8-15(2)11(16)9(12)4-7-19(3,17)18/h5-6,9H,4,7-8,12H2,1-3H3
InChIKeyPCYONCRULFTMOA-UHFFFAOYSA-N
XLogP-0.86
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
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CID 72150054
2-ethylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150097
N-{(3R*,4S*)-4-isopropyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-3-pyrrolidinyl}-3-(methylsulfonyl)propanamide
CID 72837809
1-(1,1-Dioxothiolan-3-yl)-3-(2-imidazol-1-ylethyl)urea
CID 71894170
2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772138
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 86774804
(2S)-2-amino-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 86814817
N~2~-acetyl-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-L-methioninamide
CID 90653187
N~1~-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-N~2~-(methylsulfonyl)alaninamide
CID 91774565
N~3~-(methylsulfonyl)-N~1~-[(1-propyl-1H-imidazol-2-yl)methyl]-beta-alaninamide
CID 91835434
2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125444414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide (CID 54873657) is 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide is CN(Cc1nccn1C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is PCYONCRULFTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-14-6-5-13-10(14)8-15(2)11(16)9(12)4-7-19(3,17)18/h5-6,9H,4,7-8,12H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 288.37 g/mol, XLogP of -0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 54873657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).