N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide

C16H24N2O2S — CID 79701884

IUPACN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-18(12-13-7-9-17-10-8-13)21(19,20)16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,17H,2-4,7-10,12H2,1H3
InChIKeyPGMHNTNELCOMQY-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 79701884) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID79701884
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-18(12-13-7-9-17-10-8-13)21(19,20)16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,17H,2-4,7-10,12H2,1H3
InChIKeyPGMHNTNELCOMQY-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-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 79701893
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240
2-(6-cyano-8-methylquinazolin-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 86301848
N-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120718201
N-methyl-2-[8-methyl-6-(2-methyl-4-pyridinyl)quinazolin-4-yl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 86301689
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 79701884) is N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide is CN(CC1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PGMHNTNELCOMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(12-13-7-9-17-10-8-13)21(19,20)16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,17H,2-4,7-10,12H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-methyl-N-(piperidin-4-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-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 79701884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).