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

N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
CID 47220680
N-[3-oxo-3-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 72143157
2-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150044
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72150070
4-(1H-imidazol-1-yl)-N-[rel-(3R,4S)-1-(methylsulfonyl)-4-propyl-3-pyrrolidinyl]butanamide hydrochloride
CID 72890648
2-(2-isopropyl-1H-imidazol-1-yl)-N-[1-(methylsulfonyl)-4-piperidinyl]propanamide
CID 72891813
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclopropyloxalamide
CID 44999147
1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383316
N-[3-(1H-imidazol-1-yl)propyl]-1-methanesulfonylazetidine-3-carboxamide
CID 71785467
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91628970
N~2~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-1-methyl-1H-imidazole-2-carboxamide
CID 91923124
methyl [2-({[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}amino)-1-methyl-2-oxoethyl]carbamate
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).