6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide

C13H17N3O2S — CID 66000332

IUPAC6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NCC3CCC3)c[nH]c2c1
InChIInChI=1S/C13H17N3O2S/c14-10-4-5-11-12(6-10)15-8-13(11)19(17,18)16-7-9-2-1-3-9/h4-6,8-9,15-16H,1-3,7,14H2
InChIKeyQWKZRGWYGVUHCR-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.83
Rot. Bonds4

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

6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide (PubChem CID 66000332) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
PubChem CID66000332
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NCC3CCC3)c[nH]c2c1
InChIInChI=1S/C13H17N3O2S/c14-10-4-5-11-12(6-10)15-8-13(11)19(17,18)16-7-9-2-1-3-9/h4-6,8-9,15-16H,1-3,7,14H2
InChIKeyQWKZRGWYGVUHCR-UHFFFAOYSA-N
XLogP1.83
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide
CID 64850708
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
CID 102694358
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide
CID 80715128
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide (CID 66000332) is 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide is Nc1ccc2c(S(=O)(=O)NCC3CCC3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide?
The InChIKey is QWKZRGWYGVUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-10-4-5-11-12(6-10)15-8-13(11)19(17,18)16-7-9-2-1-3-9/h4-6,8-9,15-16H,1-3,7,14H2.
What are the key properties of 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide?
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 66000332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).