N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide

C12H20N4O3S — CID 91832424

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide
SMILESCn1ccnc1C(NC(=O)CCNS(C)(=O)=O)C1CC1
InChIInChI=1S/C12H20N4O3S/c1-16-8-7-13-12(16)11(9-3-4-9)15-10(17)5-6-14-20(2,18)19/h7-9,11,14H,3-6H2,1-2H3,(H,15,17)
InChIKeyLTFYPTNKJGCZPD-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.07
Rot. Bonds7

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide (PubChem CID 91832424) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide
PubChem CID91832424
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide
SMILESCn1ccnc1C(NC(=O)CCNS(C)(=O)=O)C1CC1
InChIInChI=1S/C12H20N4O3S/c1-16-8-7-13-12(16)11(9-3-4-9)15-10(17)5-6-14-20(2,18)19/h7-9,11,14H,3-6H2,1-2H3,(H,15,17)
InChIKeyLTFYPTNKJGCZPD-UHFFFAOYSA-N
XLogP-0.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide (CID 91832424) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide is Cn1ccnc1C(NC(=O)CCNS(C)(=O)=O)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide?
The InChIKey is LTFYPTNKJGCZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-16-8-7-13-12(16)11(9-3-4-9)15-10(17)5-6-14-20(2,18)19/h7-9,11,14H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide has a molecular weight of 300.38 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 91832424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).