N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide

C12H22N4O3S — CID 125445339

IUPACN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)N1CCOCC1)c1nccn1C
InChIInChI=1S/C12H22N4O3S/c1-10(2)11(12-13-4-5-15(12)3)14-20(17,18)16-6-8-19-9-7-16/h4-5,10-11,14H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyNQRRHOLXANULFI-LLVKDONJSA-N
MW302.40 g/mol
LogP0.28
Rot. Bonds5

About N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide (PubChem CID 125445339) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
PubChem CID125445339
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)N1CCOCC1)c1nccn1C
InChIInChI=1S/C12H22N4O3S/c1-10(2)11(12-13-4-5-15(12)3)14-20(17,18)16-6-8-19-9-7-16/h4-5,10-11,14H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyNQRRHOLXANULFI-LLVKDONJSA-N
XLogP0.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole-2-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071457
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}methyl)amine
CID 56752745
1-(2-methoxyethyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726324
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
CID 84598459
(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
CID 95965407
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
CID 125439977
2-[(1S)-1-(dimethylsulfamoylamino)-2-methylpropyl]-1-methylimidazole
CID 125445143
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 125445340
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrrolidine-1-sulfonamide
CID 127958386
N,2,2-trimethyl-N-[3-(1-propylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 132383714

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide (CID 125445339) is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide is CC(C)[C@@H](NS(=O)(=O)N1CCOCC1)c1nccn1C.
What is the InChIKey of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide?
The InChIKey is NQRRHOLXANULFI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-10(2)11(12-13-4-5-15(12)3)14-20(17,18)16-6-8-19-9-7-16/h4-5,10-11,14H,6-9H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide?
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 125445339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).