N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide

C14H27N3O3S — CID 106143878

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)(C)CCCO)nc1C
InChIInChI=1S/C14H27N3O3S/c1-5-8-17-10-13(16-12(17)2)21(19,20)15-11-14(3,4)7-6-9-18/h10,15,18H,5-9,11H2,1-4H3
InChIKeyXGTDQHWFTJMHAE-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.68
Rot. Bonds9

About N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 106143878) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID106143878
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)(C)CCCO)nc1C
InChIInChI=1S/C14H27N3O3S/c1-5-8-17-10-13(16-12(17)2)21(19,20)15-11-14(3,4)7-6-9-18/h10,15,18H,5-9,11H2,1-4H3
InChIKeyXGTDQHWFTJMHAE-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(4-chloro-2,2-dimethylbutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 106145989
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107155350
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 106210109
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
CID 106169930

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 106143878) is N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)(C)CCCO)nc1C.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is XGTDQHWFTJMHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-5-8-17-10-13(16-12(17)2)21(19,20)15-11-14(3,4)7-6-9-18/h10,15,18H,5-9,11H2,1-4H3.
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 106143878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).