6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide

C12H17N3O3S — CID 102694358

IUPAC6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C12H17N3O3S/c1-8(18-2)6-15-19(16,17)12-7-14-11-5-9(13)3-4-10(11)12/h3-5,7-8,14-15H,6,13H2,1-2H3
InChIKeyYXQXHWDJHKLTIZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.06
Rot. Bonds5

About 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide

6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide (PubChem CID 102694358) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
PubChem CID102694358
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C12H17N3O3S/c1-8(18-2)6-15-19(16,17)12-7-14-11-5-9(13)3-4-10(11)12/h3-5,7-8,14-15H,6,13H2,1-2H3
InChIKeyYXQXHWDJHKLTIZ-UHFFFAOYSA-N
XLogP1.06
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.06
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

2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
N-(2-methoxypropyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 102697459
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
CID 107212999
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
6-amino-N-ethyl-N-(2-methoxyethyl)-1H-indole-3-sulfonamide
CID 66000340

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide (CID 102694358) is 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide is COC(C)CNS(=O)(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide?
The InChIKey is YXQXHWDJHKLTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8(18-2)6-15-19(16,17)12-7-14-11-5-9(13)3-4-10(11)12/h3-5,7-8,14-15H,6,13H2,1-2H3.
What are the key properties of 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide?
6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 102694358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).