N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide

C12H21N3O4S — CID 106102932

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2(O)CCOC2)nc1C
InChIInChI=1S/C12H21N3O4S/c1-3-5-15-7-11(14-10(15)2)20(17,18)13-8-12(16)4-6-19-9-12/h7,13,16H,3-6,8-9H2,1-2H3
InChIKeyZMPXAMQFZKHDSJ-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.03
Rot. Bonds6

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 106102932) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID106102932
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2(O)CCOC2)nc1C
InChIInChI=1S/C12H21N3O4S/c1-3-5-15-7-11(14-10(15)2)20(17,18)13-8-12(16)4-6-19-9-12/h7,13,16H,3-6,8-9H2,1-2H3
InChIKeyZMPXAMQFZKHDSJ-UHFFFAOYSA-N
XLogP0.03
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 64913069
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 106210109

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide (CID 106102932) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2(O)CCOC2)nc1C.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is ZMPXAMQFZKHDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-3-5-15-7-11(14-10(15)2)20(17,18)13-8-12(16)4-6-19-9-12/h7,13,16H,3-6,8-9H2,1-2H3.
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 106102932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).