2-methyl-1-[3-(sulfamoylamino)propyl]imidazole

C7H14N4O2S — CID 72713105

IUPAC2-methyl-1-[3-(sulfamoylamino)propyl]imidazole
SMILESCc1nccn1CCCNS(N)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-7-9-4-6-11(7)5-2-3-10-14(8,12)13/h4,6,10H,2-3,5H2,1H3,(H2,8,12,13)
InChIKeySIPDPZUFNBDQFC-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.63
Rot. Bonds5

About 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole

2-methyl-1-[3-(sulfamoylamino)propyl]imidazole (PubChem CID 72713105) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[3-(sulfamoylamino)propyl]imidazole
PubChem CID72713105
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-methyl-1-[3-(sulfamoylamino)propyl]imidazole
SMILESCc1nccn1CCCNS(N)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-7-9-4-6-11(7)5-2-3-10-14(8,12)13/h4,6,10H,2-3,5H2,1H3,(H2,8,12,13)
InChIKeySIPDPZUFNBDQFC-UHFFFAOYSA-N
XLogP-0.63
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Imidazole-1-propanamine
CID 78736
1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea
CID 3692902
N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
CID 4962631
4-(1H-imidazol-1-yl)butan-1-amine
CID 4379480
3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
CID 3152105
2-(2-Methyl-1H-imidazol-1-yl)ethan-1-amine
CID 3157480
(1-methyl-1H-imidazol-2-yl)methanamine
CID 533842
2-Nitro-1-[2-(sulfamoylamino)ethyl]imidazole
CID 72712918
[3-(1H-imidazol-1-yl)propyl](methyl)amine
CID 15034982
(3-(1H-Imidazol-1-yl)propyl)-2-cyano-3-methylguanidine
CID 11252738
1H-Imidazole, 2-methyl-1-propyl
CID 529336
1-(1-ethyl-1H-imidazol-2-yl)ethanamine
CID 63970415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole?
The IUPAC name of 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole (CID 72713105) is 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole.
What is the SMILES notation for 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole?
The canonical SMILES for 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole is Cc1nccn1CCCNS(N)(=O)=O.
What is the InChIKey of 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole?
The InChIKey is SIPDPZUFNBDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-7-9-4-6-11(7)5-2-3-10-14(8,12)13/h4,6,10H,2-3,5H2,1H3,(H2,8,12,13).
What are the key properties of 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole?
2-methyl-1-[3-(sulfamoylamino)propyl]imidazole has a molecular weight of 218.28 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(sulfamoylamino)propyl]imidazole is sourced from PubChem (CID 72713105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).