N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C16H24N2O4S2 — CID 47958232

IUPACN-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCS(=O)(=O)N1CCCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C16H24N2O4S2/c1-23(19,20)18-10-4-7-15(12-18)17-24(21,22)16-9-8-13-5-2-3-6-14(13)11-16/h8-9,11,15,17H,2-7,10,12H2,1H3
InChIKeyJROIODNAPKNODX-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.27
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 47958232) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID47958232
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCS(=O)(=O)N1CCCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C16H24N2O4S2/c1-23(19,20)18-10-4-7-15(12-18)17-24(21,22)16-9-8-13-5-2-3-6-14(13)11-16/h8-9,11,15,17H,2-7,10,12H2,1H3
InChIKeyJROIODNAPKNODX-UHFFFAOYSA-N
XLogP1.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918
N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120723735
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
2,4,5-trifluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 136573940
N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120716762
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61222738
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 47958232) is N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CS(=O)(=O)N1CCCC(NS(=O)(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JROIODNAPKNODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-23(19,20)18-10-4-7-15(12-18)17-24(21,22)16-9-8-13-5-2-3-6-14(13)11-16/h8-9,11,15,17H,2-7,10,12H2,1H3.
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 372.51 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 47958232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).