(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one

C12H24N2O3S — CID 164629712

IUPAC(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1CCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H24N2O3S/c1-4-11-12(15)13-6-8-14(11)7-5-9-18(16,17)10(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)/t11-/m0/s1
InChIKeyOOMQGKPGCDVCGP-NSHDSACASA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds6

About (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one

(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one (PubChem CID 164629712) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
PubChem CID164629712
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1CCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H24N2O3S/c1-4-11-12(15)13-6-8-14(11)7-5-9-18(16,17)10(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)/t11-/m0/s1
InChIKeyOOMQGKPGCDVCGP-NSHDSACASA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one?
The IUPAC name of (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one (CID 164629712) is (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one is CC[C@H]1C(=O)NCCN1CCCS(=O)(=O)C(C)C.
What is the InChIKey of (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one?
The InChIKey is OOMQGKPGCDVCGP-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-11-12(15)13-6-8-14(11)7-5-9-18(16,17)10(2)3/h10-11H,4-9H2,1-3H3,(H,13,15)/t11-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one?
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one has a molecular weight of 276.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one is sourced from PubChem (CID 164629712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).