N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide

C12H20N4O3S — CID 91774565

IUPACN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C12H20N4O3S/c1-10(15-20(2,18)19)11(17)14-7-12(3-4-12)8-16-6-5-13-9-16/h5-6,9-10,15H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyVWVPCDOGMFINCY-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.28
Rot. Bonds7

About N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide (PubChem CID 91774565) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide
PubChem CID91774565
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C12H20N4O3S/c1-10(15-20(2,18)19)11(17)14-7-12(3-4-12)8-16-6-5-13-9-16/h5-6,9-10,15H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyVWVPCDOGMFINCY-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72890648
CID 72891813
CID 72891813
CID 44999147
CID 44999147
CID 53383316
CID 53383316
CID 71785467
CID 71785467
CID 91628970
CID 91628970
CID 91923124
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CID 91780553
CID 91780553

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide (CID 91774565) is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NCC1(Cn2ccnc2)CC1.
What is the InChIKey of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide?
The InChIKey is VWVPCDOGMFINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10(15-20(2,18)19)11(17)14-7-12(3-4-12)8-16-6-5-13-9-16/h5-6,9-10,15H,3-4,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide?
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide has a molecular weight of 300.38 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 91774565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).