[1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol

C15H21N5O3S — CID 126807698

IUPAC[1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESCc1cnc(N)c(S(=O)(=O)N2CCC(C(O)c3ncc[nH]3)CC2)c1
InChIInChI=1S/C15H21N5O3S/c1-10-8-12(14(16)19-9-10)24(22,23)20-6-2-11(3-7-20)13(21)15-17-4-5-18-15/h4-5,8-9,11,13,21H,2-3,6-7H2,1H3,(H2,16,19)(H,17,18)
InChIKeyJQZDJJZWCHQKHM-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.83
Rot. Bonds4

About [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol

[1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol (PubChem CID 126807698) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol
PubChem CID126807698
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name[1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESCc1cnc(N)c(S(=O)(=O)N2CCC(C(O)c3ncc[nH]3)CC2)c1
InChIInChI=1S/C15H21N5O3S/c1-10-8-12(14(16)19-9-10)24(22,23)20-6-2-11(3-7-20)13(21)15-17-4-5-18-15/h4-5,8-9,11,13,21H,2-3,6-7H2,1H3,(H2,16,19)(H,17,18)
InChIKeyJQZDJJZWCHQKHM-UHFFFAOYSA-N
XLogP0.83
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol with MolForge

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Related Compounds

(R)-1H-imidazol-2-yl-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 99802859
2-[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166334751
[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 139010879
1H-imidazol-2-yl-[1-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 154760465
(R)-1H-imidazol-2-yl-(1-quinoxalin-2-ylpiperidin-4-yl)methanol
CID 129447683
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 126784700
3-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonyl-5-methylpyridin-2-amine
CID 164640825
6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 124883228
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
CID 103896892
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol (CID 126807698) is [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol is Cc1cnc(N)c(S(=O)(=O)N2CCC(C(O)c3ncc[nH]3)CC2)c1.
What is the InChIKey of [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The InChIKey is JQZDJJZWCHQKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-10-8-12(14(16)19-9-10)24(22,23)20-6-2-11(3-7-20)13(21)15-17-4-5-18-15/h4-5,8-9,11,13,21H,2-3,6-7H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
[1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol has a molecular weight of 351.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 126807698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).