1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine

C12H26N2O2S — CID 130440722

IUPAC1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine
SMILESCC[C@H](C)N1CCN(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-5-12(4)13-6-8-14(9-7-13)17(15,16)10-11(2)3/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeySFSSIIRMQBVIKQ-LBPRGKRZSA-N
MW262.42 g/mol
LogP1.39
Rot. Bonds5

About 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine

1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine (PubChem CID 130440722) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine
PubChem CID130440722
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine
SMILESCC[C@H](C)N1CCN(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-5-12(4)13-6-8-14(9-7-13)17(15,16)10-11(2)3/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeySFSSIIRMQBVIKQ-LBPRGKRZSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine?
The IUPAC name of 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine (CID 130440722) is 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine is CC[C@H](C)N1CCN(S(=O)(=O)CC(C)C)CC1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine?
The InChIKey is SFSSIIRMQBVIKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-12(4)13-6-8-14(9-7-13)17(15,16)10-11(2)3/h11-12H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine?
1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine is sourced from PubChem (CID 130440722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).