1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine

C14H26N2O2S — CID 7271010

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-9-19(17,18)16-7-5-15(6-8-16)14-11-12-3-4-13(14)10-12/h12-14H,2-11H2,1H3/t12-,13-,14-/m0/s1
InChIKeyDCZUBCJPWUAHBS-IHRRRGAJSA-N
MW286.44 g/mol
LogP1.53
Rot. Bonds4

About 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine (PubChem CID 7271010) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine
PubChem CID7271010
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C14H26N2O2S/c1-2-9-19(17,18)16-7-5-15(6-8-16)14-11-12-3-4-13(14)10-12/h12-14H,2-11H2,1H3/t12-,13-,14-/m0/s1
InChIKeyDCZUBCJPWUAHBS-IHRRRGAJSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
4-propylsulfonylpiperazine-1-carbaldehyde
CID 60643312
1-ethylsulfonyl-4-(2-methylcyclohexyl)piperazine
CID 3145555
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 11878975
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 6942192
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 7108898
2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol
CID 75434377
N-(2,6-dimethylcyclohexyl)-1-propylsulfonylpiperidin-4-amine
CID 43747959
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazin-1-ium
CID 7325610
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine (CID 7271010) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine?
The InChIKey is DCZUBCJPWUAHBS-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-9-19(17,18)16-7-5-15(6-8-16)14-11-12-3-4-13(14)10-12/h12-14H,2-11H2,1H3/t12-,13-,14-/m0/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine has a molecular weight of 286.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 7271010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).