(3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one

C12H23N3O3S — CID 164639503

IUPAC(3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one
SMILESCC(C)[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H23N3O3S/c1-10(2)11-12(16)13(3)8-9-15(11)19(17,18)14-6-4-5-7-14/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyYJGVLQRTPVZWSV-NSHDSACASA-N
MW289.40 g/mol
LogP0.13
Rot. Bonds3

About (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one

(3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one (PubChem CID 164639503) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one
PubChem CID164639503
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one
SMILESCC(C)[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H23N3O3S/c1-10(2)11-12(16)13(3)8-9-15(11)19(17,18)14-6-4-5-7-14/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyYJGVLQRTPVZWSV-NSHDSACASA-N
XLogP0.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one?
The IUPAC name of (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one (CID 164639503) is (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one?
The canonical SMILES for (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one is CC(C)[C@H]1C(=O)N(C)CCN1S(=O)(=O)N1CCCC1.
What is the InChIKey of (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one?
The InChIKey is YJGVLQRTPVZWSV-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-10(2)11-12(16)13(3)8-9-15(11)19(17,18)14-6-4-5-7-14/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one?
(3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one has a molecular weight of 289.40 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-propan-2-yl-4-pyrrolidin-1-ylsulfonylpiperazin-2-one is sourced from PubChem (CID 164639503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).