1-[2-(sulfamoylamino)propyl]imidazole

C6H12N4O2S — CID 112686375

IUPAC1-[2-(sulfamoylamino)propyl]imidazole
SMILESCC(Cn1ccnc1)NS(N)(=O)=O
InChIInChI=1S/C6H12N4O2S/c1-6(9-13(7,11)12)4-10-3-2-8-5-10/h2-3,5-6,9H,4H2,1H3,(H2,7,11,12)
InChIKeyLYVOMYJSBPWTCQ-UHFFFAOYSA-N
MW204.26 g/mol
LogP-0.94
Rot. Bonds4

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

1-[2-(sulfamoylamino)propyl]imidazole (PubChem CID 112686375) has the molecular formula C6H12N4O2S and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[2-(sulfamoylamino)propyl]imidazole.

Molecular Properties

Compound Name1-[2-(sulfamoylamino)propyl]imidazole
PubChem CID112686375
Molecular FormulaC6H12N4O2S
Molecular Weight204.26 g/mol
Exact Mass204.07
IUPAC Name1-[2-(sulfamoylamino)propyl]imidazole
SMILESCC(Cn1ccnc1)NS(N)(=O)=O
InChIInChI=1S/C6H12N4O2S/c1-6(9-13(7,11)12)4-10-3-2-8-5-10/h2-3,5-6,9H,4H2,1H3,(H2,7,11,12)
InChIKeyLYVOMYJSBPWTCQ-UHFFFAOYSA-N
XLogP-0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 61482816
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106009921
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(sulfamoylamino)propyl]imidazole?
The IUPAC name of 1-[2-(sulfamoylamino)propyl]imidazole (CID 112686375) is 1-[2-(sulfamoylamino)propyl]imidazole.
What is the SMILES notation for 1-[2-(sulfamoylamino)propyl]imidazole?
The canonical SMILES for 1-[2-(sulfamoylamino)propyl]imidazole is CC(Cn1ccnc1)NS(N)(=O)=O.
What is the InChIKey of 1-[2-(sulfamoylamino)propyl]imidazole?
The InChIKey is LYVOMYJSBPWTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-6(9-13(7,11)12)4-10-3-2-8-5-10/h2-3,5-6,9H,4H2,1H3,(H2,7,11,12).
What are the key properties of 1-[2-(sulfamoylamino)propyl]imidazole?
1-[2-(sulfamoylamino)propyl]imidazole has a molecular weight of 204.26 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(sulfamoylamino)propyl]imidazole is sourced from PubChem (CID 112686375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).