1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine

C14H26N2O2S — CID 131916970

IUPAC1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
SMILESO=S(=O)(CC1CCCC1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H26N2O2S/c17-19(18,12-14-3-1-2-4-14)16-9-7-15(8-10-16)11-13-5-6-13/h13-14H,1-12H2
InChIKeyHGJXBJGVOQGYGV-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.53
Rot. Bonds5

About 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine

1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine (PubChem CID 131916970) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
PubChem CID131916970
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
SMILESO=S(=O)(CC1CCCC1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H26N2O2S/c17-19(18,12-14-3-1-2-4-14)16-9-7-15(8-10-16)11-13-5-6-13/h13-14H,1-12H2
InChIKeyHGJXBJGVOQGYGV-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine (CID 131916970) is 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine is O=S(=O)(CC1CCCC1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine?
The InChIKey is HGJXBJGVOQGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18,12-14-3-1-2-4-14)16-9-7-15(8-10-16)11-13-5-6-13/h13-14H,1-12H2.
What are the key properties of 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine?
1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine has a molecular weight of 286.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 131916970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).