1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

C19H30N2O4S2 — CID 56549461

IUPAC1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILESCC(C)CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H30N2O4S2/c1-16(2)9-14-26(22,23)20-10-12-21(13-11-20)27(24,25)19-8-7-17-5-3-4-6-18(17)15-19/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyFBMQWUCISGVZSU-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.25
Rot. Bonds6

About 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine

1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine (PubChem CID 56549461) has the molecular formula C19H30N2O4S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
PubChem CID56549461
Molecular FormulaC19H30N2O4S2
Molecular Weight414.59 g/mol
Exact Mass414.16
IUPAC Name1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILESCC(C)CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H30N2O4S2/c1-16(2)9-14-26(22,23)20-10-12-21(13-11-20)27(24,25)19-8-7-17-5-3-4-6-18(17)15-19/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyFBMQWUCISGVZSU-UHFFFAOYSA-N
XLogP2.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutylsulfonyl)piperazine
CID 56549188
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(3-methylbutyl)-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
CID 91925909
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9258084
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
CID 110665602
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-methylbutan-1-one
CID 18148708
(2S)-2-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119687812
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The IUPAC name of 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine (CID 56549461) is 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine is CC(C)CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
The InChIKey is FBMQWUCISGVZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S2/c1-16(2)9-14-26(22,23)20-10-12-21(13-11-20)27(24,25)19-8-7-17-5-3-4-6-18(17)15-19/h7-8,15-16H,3-6,9-14H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine?
1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine has a molecular weight of 414.59 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 56549461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).