N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide

C15H22N2O3S — CID 63708062

IUPACN-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3S/c1-17(10-12-3-2-8-20-11-12)21(18,19)14-4-5-15-13(9-14)6-7-16-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3
InChIKeyNVZXXVJOFJETRW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.70
Rot. Bonds4

About N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 63708062) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID63708062
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O3S/c1-17(10-12-3-2-8-20-11-12)21(18,19)14-4-5-15-13(9-14)6-7-16-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3
InChIKeyNVZXXVJOFJETRW-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-methyl-N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 82742932
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 63705707
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62823134
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61435584
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 154739901
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43614367
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 63708062) is N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide is CN(CC1CCCOC1)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is NVZXXVJOFJETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(10-12-3-2-8-20-11-12)21(18,19)14-4-5-15-13(9-14)6-7-16-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 63708062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).