N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H24N4O2S — CID 106009921

IUPACN-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H24N4O2S/c1-10(2)14-7-12(4)19(17,18)15-11(3)8-16-6-5-13-9-16/h5-6,9-12,14-15H,7-8H2,1-4H3
InChIKeyNPXXAEKVXOIJGI-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.58
Rot. Bonds8

About N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106009921) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106009921
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H24N4O2S/c1-10(2)14-7-12(4)19(17,18)15-11(3)8-16-6-5-13-9-16/h5-6,9-12,14-15H,7-8H2,1-4H3
InChIKeyNPXXAEKVXOIJGI-UHFFFAOYSA-N
XLogP0.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 61482816
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
CID 106010320

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106009921) is N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is NPXXAEKVXOIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-10(2)14-7-12(4)19(17,18)15-11(3)8-16-6-5-13-9-16/h5-6,9-12,14-15H,7-8H2,1-4H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106009921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).