N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide

C12H22N4O2S — CID 99793097

IUPACN-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
SMILESC[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C12H22N4O2S/c1-10-4-3-5-16(7-10)8-11(2)15-19(17,18)12-6-13-9-14-12/h6,9-11,15H,3-5,7-8H2,1-2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyGYPWRMKTCVASGZ-GHMZBOCLSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds5

About N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide

N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide (PubChem CID 99793097) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
PubChem CID99793097
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
SMILESC[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C12H22N4O2S/c1-10-4-3-5-16(7-10)8-11(2)15-19(17,18)12-6-13-9-14-12/h6,9-11,15H,3-5,7-8H2,1-2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyGYPWRMKTCVASGZ-GHMZBOCLSA-N
XLogP0.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide
CID 99858954
3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
CID 129408262
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 86804960
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 113239207
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 99827324
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-imidazole-5-sulfonamide
CID 112692305
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 98954697
N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide
CID 114293943

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide (CID 99793097) is N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide is C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is GYPWRMKTCVASGZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-4-3-5-16(7-10)8-11(2)15-19(17,18)12-6-13-9-14-12/h6,9-11,15H,3-5,7-8H2,1-2H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide?
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 99793097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).