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

C10H18N4O3S — CID 63293767

IUPAC2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide
SMILESCn1ccnc1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-14-5-4-12-9(14)7-13-10(15)8(11)3-6-18(2,16)17/h4-5,8H,3,6-7,11H2,1-2H3,(H,13,15)
InChIKeyVRDWPRKMULDEKI-UHFFFAOYSA-N
MW274.35 g/mol
LogP-1.20
Rot. Bonds6

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

2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide (PubChem CID 63293767) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide
PubChem CID63293767
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide
SMILESCn1ccnc1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-14-5-4-12-9(14)7-13-10(15)8(11)3-6-18(2,16)17/h4-5,8H,3,6-7,11H2,1-2H3,(H,13,15)
InChIKeyVRDWPRKMULDEKI-UHFFFAOYSA-N
XLogP-1.20
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide (CID 63293767) is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide is Cn1ccnc1CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is VRDWPRKMULDEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-14-5-4-12-9(14)7-13-10(15)8(11)3-6-18(2,16)17/h4-5,8H,3,6-7,11H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 274.35 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 63293767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).