[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol

C14H19N3O3S — CID 64851482

IUPAC[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCCCC3CO)c2c1
InChIInChI=1S/C14H19N3O3S/c15-10-4-5-13-12(7-10)14(8-16-13)21(19,20)17-6-2-1-3-11(17)9-18/h4-5,7-8,11,16,18H,1-3,6,9,15H2
InChIKeyQLEBNLGSNKZGSY-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.29
Rot. Bonds3

About [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol

[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol (PubChem CID 64851482) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
PubChem CID64851482
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
SMILESNc1ccc2[nH]cc(S(=O)(=O)N3CCCCC3CO)c2c1
InChIInChI=1S/C14H19N3O3S/c15-10-4-5-13-12(7-10)14(8-16-13)21(19,20)17-6-2-1-3-11(17)9-18/h4-5,7-8,11,16,18H,1-3,6,9,15H2
InChIKeyQLEBNLGSNKZGSY-UHFFFAOYSA-N
XLogP1.29
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 114796832
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63116358
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
CID 83218690
3-morpholin-4-ylsulfonyl-1H-indol-5-amine
CID 14736107
4-[(5-amino-1H-indol-3-yl)sulfonyl]piperazine-2,6-dione
CID 66085638
[1-(2-amino-5-nitrophenyl)sulfonylpiperidin-2-yl]methanol
CID 62153620
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246

Frequently Asked Questions

What is the IUPAC name of [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol (CID 64851482) is [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol is Nc1ccc2[nH]cc(S(=O)(=O)N3CCCCC3CO)c2c1.
What is the InChIKey of [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol?
The InChIKey is QLEBNLGSNKZGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-10-4-5-13-12(7-10)14(8-16-13)21(19,20)17-6-2-1-3-11(17)9-18/h4-5,7-8,11,16,18H,1-3,6,9,15H2.
What are the key properties of [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol?
[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol has a molecular weight of 309.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol is sourced from PubChem (CID 64851482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).