3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine

C14H19N3O3S — CID 102955337

IUPAC3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
SMILESCOC1CCCN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1
InChIInChI=1S/C14H19N3O3S/c1-20-11-3-2-6-17(9-11)21(18,19)14-8-16-13-7-10(15)4-5-12(13)14/h4-5,7-8,11,16H,2-3,6,9,15H2,1H3
InChIKeyNBDQSSVBKDOZKF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.55
Rot. Bonds3

About 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine

3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine (PubChem CID 102955337) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
PubChem CID102955337
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
SMILESCOC1CCCN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1
InChIInChI=1S/C14H19N3O3S/c1-20-11-3-2-6-17(9-11)21(18,19)14-8-16-13-7-10(15)4-5-12(13)14/h4-5,7-8,11,16H,2-3,6,9,15H2,1H3
InChIKeyNBDQSSVBKDOZKF-UHFFFAOYSA-N
XLogP1.55
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
CID 103530237
4-[(6-amino-1H-indol-3-yl)sulfonyl]-1,4-diazepan-2-one
CID 66000546
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
CID 107212999
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3-nitroaniline
CID 103538293
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
1-[[5-(chloromethyl)-1H-pyrrol-3-yl]sulfonyl]-3-methoxypiperidine
CID 102969072
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 114796832
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine (CID 102955337) is 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine is COC1CCCN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine?
The InChIKey is NBDQSSVBKDOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-11-3-2-6-17(9-11)21(18,19)14-8-16-13-7-10(15)4-5-12(13)14/h4-5,7-8,11,16H,2-3,6,9,15H2,1H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine?
3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine has a molecular weight of 309.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine is sourced from PubChem (CID 102955337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).