N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide

C17H26N2O4S2 — CID 48737336

IUPACN-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
SMILESCN(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S2/c1-18(24(2,20)21)16-9-11-19(12-10-16)25(22,23)17-8-7-14-5-3-4-6-15(14)13-17/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyBUDBSPXFLQRWDW-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.61
Rot. Bonds4

About N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide

N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 48737336) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
PubChem CID48737336
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC NameN-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
SMILESCN(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S2/c1-18(24(2,20)21)16-9-11-19(12-10-16)25(22,23)17-8-7-14-5-3-4-6-15(14)13-17/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyBUDBSPXFLQRWDW-UHFFFAOYSA-N
XLogP1.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide
CID 56586881
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide (CID 48737336) is N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide is CN(C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is BUDBSPXFLQRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-18(24(2,20)21)16-9-11-19(12-10-16)25(22,23)17-8-7-14-5-3-4-6-15(14)13-17/h7-8,13,16H,3-6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 48737336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).