N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C16H24N2O2S — CID 114955865

IUPACN-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC1CCNCC1CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-12-7-8-17-10-15(12)11-18-21(19,20)16-6-5-13-3-2-4-14(13)9-16/h5-6,9,12,15,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyLDPGNDGJNRSDMC-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.70
Rot. Bonds4

About N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 114955865) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID114955865
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC1CCNCC1CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O2S/c1-12-7-8-17-10-15(12)11-18-21(19,20)16-6-5-13-3-2-4-14(13)9-16/h5-6,9,12,15,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyLDPGNDGJNRSDMC-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
CID 106779364
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-methyl-N-pyrrolidin-3-yl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119553738
N-(4-methylpyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104826100
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136147
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136241
2-fluoro-N-[(4-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 114955897
N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120716762
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 114955865) is N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is CC1CCNCC1CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is LDPGNDGJNRSDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-7-8-17-10-15(12)11-18-21(19,20)16-6-5-13-3-2-4-14(13)9-16/h5-6,9,12,15,17-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 114955865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).