3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine

C14H17N3O2S — CID 114407791

IUPAC3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
SMILESCC1=CCN(S(=O)(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-10-4-6-17(7-5-10)20(18,19)14-9-16-13-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7,15H2,1H3
InChIKeyCCJVGCXUINOUNB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.09
Rot. Bonds2

About 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine

3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine (PubChem CID 114407791) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
PubChem CID114407791
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
SMILESCC1=CCN(S(=O)(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-10-4-6-17(7-5-10)20(18,19)14-9-16-13-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7,15H2,1H3
InChIKeyCCJVGCXUINOUNB-UHFFFAOYSA-N
XLogP2.09
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-ylsulfonyl-1H-indol-5-amine
CID 64852644
3-morpholin-4-ylsulfonyl-1H-indol-5-amine
CID 14736107
4-[(5-amino-1H-indol-3-yl)sulfonyl]piperazine-2,6-dione
CID 66085638
(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407257
2-[1-[(5-amino-1H-indol-3-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 114796832
3,4-difluoro-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407733
3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1H-indol-5-amine
CID 83218690
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
CID 64851482
3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
CID 103530237
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
CID 64853040
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 113086926

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine?
The IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine (CID 114407791) is 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine?
The canonical SMILES for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine is CC1=CCN(S(=O)(=O)c2c[nH]c3ccc(N)cc23)CC1.
What is the InChIKey of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine?
The InChIKey is CCJVGCXUINOUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-6-17(7-5-10)20(18,19)14-9-16-13-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7,15H2,1H3.
What are the key properties of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine?
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine has a molecular weight of 291.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine is sourced from PubChem (CID 114407791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).