N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide

C16H24N2O2S — CID 106630837

IUPACN-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-18(12-13-4-3-9-17-11-13)21(19,20)16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13,17H,2-6,9,11-12H2,1H3
InChIKeyXWJZSIMARXSKCW-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 106630837) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID106630837
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-18(12-13-4-3-9-17-11-13)21(19,20)16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13,17H,2-6,9,11-12H2,1H3
InChIKeyXWJZSIMARXSKCW-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79701884
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
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-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
7-methylsulfonyl-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120858501
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 106630837) is N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide is CN(CC1CCCNC1)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is XWJZSIMARXSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(12-13-4-3-9-17-11-13)21(19,20)16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13,17H,2-6,9,11-12H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 106630837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).