1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol

C12H19N3O3S — CID 114678175

IUPAC1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2ccc(CN)nc2)CCC1O
InChIInChI=1S/C12H19N3O3S/c1-9-8-15(5-4-12(9)16)19(17,18)11-3-2-10(6-13)14-7-11/h2-3,7,9,12,16H,4-6,8,13H2,1H3
InChIKeyUSAJIRQKIWTMHY-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.07
Rot. Bonds3

About 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol

1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol (PubChem CID 114678175) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
PubChem CID114678175
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2ccc(CN)nc2)CCC1O
InChIInChI=1S/C12H19N3O3S/c1-9-8-15(5-4-12(9)16)19(17,18)11-3-2-10(6-13)14-7-11/h2-3,7,9,12,16H,4-6,8,13H2,1H3
InChIKeyUSAJIRQKIWTMHY-UHFFFAOYSA-N
XLogP-0.07
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[[6-(methylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 114681627
methyl N-[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]carbamate
CID 114613701
[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613509
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-2-pyridinyl]methanamine
CID 114613483
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
[5-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613052
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 106594973

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol (CID 114678175) is 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol is CC1CN(S(=O)(=O)c2ccc(CN)nc2)CCC1O.
What is the InChIKey of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
The InChIKey is USAJIRQKIWTMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-8-15(5-4-12(9)16)19(17,18)11-3-2-10(6-13)14-7-11/h2-3,7,9,12,16H,4-6,8,13H2,1H3.
What are the key properties of 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol?
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol has a molecular weight of 285.37 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).