N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide

C12H22N4O2S — CID 63765092

IUPACN-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(N)C2CC2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-3-6-16-8-12(15-9(16)2)19(17,18)14-7-11(13)10-4-5-10/h8,10-11,14H,3-7,13H2,1-2H3
InChIKeyDIOCMFZVCRDPAZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.62
Rot. Bonds7

About N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 63765092) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID63765092
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(N)C2CC2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-3-6-16-8-12(15-9(16)2)19(17,18)14-7-11(13)10-4-5-10/h8,10-11,14H,3-7,13H2,1-2H3
InChIKeyDIOCMFZVCRDPAZ-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 63765092) is N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(N)C2CC2)nc1C.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is DIOCMFZVCRDPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-6-16-8-12(15-9(16)2)19(17,18)14-7-11(13)10-4-5-10/h8,10-11,14H,3-7,13H2,1-2H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 63765092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).