N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide

C12H23N3O2S — CID 125437589

IUPACN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](c1nccn1C)C(C)C
InChIInChI=1S/C12H23N3O2S/c1-5-6-9-18(16,17)14-11(10(2)3)12-13-7-8-15(12)4/h7-8,10-11,14H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyMOSOXBOBGDMXCS-NSHDSACASA-N
MW273.40 g/mol
LogP1.84
Rot. Bonds7

About N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide (PubChem CID 125437589) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide
PubChem CID125437589
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](c1nccn1C)C(C)C
InChIInChI=1S/C12H23N3O2S/c1-5-6-9-18(16,17)14-11(10(2)3)12-13-7-8-15(12)4/h7-8,10-11,14H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyMOSOXBOBGDMXCS-NSHDSACASA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide (CID 125437589) is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@H](c1nccn1C)C(C)C.
What is the InChIKey of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide?
The InChIKey is MOSOXBOBGDMXCS-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-5-6-9-18(16,17)14-11(10(2)3)12-13-7-8-15(12)4/h7-8,10-11,14H,5-6,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide?
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 125437589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).