(3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

C15H25N5OS — CID 90388881

IUPAC(3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCN[C@H]1CCN(C2CCN(c3nc(C(C)C)ns3)CC2)C1=O
InChIInChI=1S/C15H25N5OS/c1-10(2)13-17-15(22-18-13)19-7-4-11(5-8-19)20-9-6-12(16-3)14(20)21/h10-12,16H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyJEQHYKSPWOKOBV-LBPRGKRZSA-N
MW323.47 g/mol
LogP1.45
Rot. Bonds4

About (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one

(3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 90388881) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID90388881
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name(3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCN[C@H]1CCN(C2CCN(c3nc(C(C)C)ns3)CC2)C1=O
InChIInChI=1S/C15H25N5OS/c1-10(2)13-17-15(22-18-13)19-7-4-11(5-8-19)20-9-6-12(16-3)14(20)21/h10-12,16H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyJEQHYKSPWOKOBV-LBPRGKRZSA-N
XLogP1.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one (CID 90388881) is (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is CN[C@H]1CCN(C2CCN(c3nc(C(C)C)ns3)CC2)C1=O.
What is the InChIKey of (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is JEQHYKSPWOKOBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-10(2)13-17-15(22-18-13)19-7-4-11(5-8-19)20-9-6-12(16-3)14(20)21/h10-12,16H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one?
(3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 323.47 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90388881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).