5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide

C14H19N3O3S — CID 64852852

IUPAC5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCC3CCCCO3)c2c1
InChIInChI=1S/C14H19N3O3S/c15-10-4-5-13-12(7-10)14(9-16-13)21(18,19)17-8-11-3-1-2-6-20-11/h4-5,7,9,11,16-17H,1-3,6,8,15H2
InChIKeyAKJAMIDWERQKAT-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.60
Rot. Bonds4

About 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide

5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide (PubChem CID 64852852) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
PubChem CID64852852
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCC3CCCCO3)c2c1
InChIInChI=1S/C14H19N3O3S/c15-10-4-5-13-12(7-10)14(9-16-13)21(18,19)17-8-11-3-1-2-6-20-11/h4-5,7,9,11,16-17H,1-3,6,8,15H2
InChIKeyAKJAMIDWERQKAT-UHFFFAOYSA-N
XLogP1.60
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.60
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

4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide
CID 64850708
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
3-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide (CID 64852852) is 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide is Nc1ccc2[nH]cc(S(=O)(=O)NCC3CCCCO3)c2c1.
What is the InChIKey of 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide?
The InChIKey is AKJAMIDWERQKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-10-4-5-13-12(7-10)14(9-16-13)21(18,19)17-8-11-3-1-2-6-20-11/h4-5,7,9,11,16-17H,1-3,6,8,15H2.
What are the key properties of 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide?
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64852852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).