(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide

C13H23N3OS — CID 168721549

IUPAC(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide
SMILESCC(C)[C@@H]1C[C@@H](N[S@@](=O)C(C)(C)C)c2ccnn21
InChIInChI=1S/C13H23N3OS/c1-9(2)12-8-10(11-6-7-14-16(11)12)15-18(17)13(3,4)5/h6-7,9-10,12,15H,8H2,1-5H3/t10-,12+,18+/m1/s1
InChIKeyRIUAVCYIWUHFCG-MYFIVHGGSA-N
MW269.41 g/mol
LogP2.58
Rot. Bonds3

About (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide (PubChem CID 168721549) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide
PubChem CID168721549
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide
SMILESCC(C)[C@@H]1C[C@@H](N[S@@](=O)C(C)(C)C)c2ccnn21
InChIInChI=1S/C13H23N3OS/c1-9(2)12-8-10(11-6-7-14-16(11)12)15-18(17)13(3,4)5/h6-7,9-10,12,15H,8H2,1-5H3/t10-,12+,18+/m1/s1
InChIKeyRIUAVCYIWUHFCG-MYFIVHGGSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide (CID 168721549) is (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide is CC(C)[C@@H]1C[C@@H](N[S@@](=O)C(C)(C)C)c2ccnn21.
What is the InChIKey of (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide?
The InChIKey is RIUAVCYIWUHFCG-MYFIVHGGSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)12-8-10(11-6-7-14-16(11)12)15-18(17)13(3,4)5/h6-7,9-10,12,15H,8H2,1-5H3/t10-,12+,18+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide has a molecular weight of 269.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(4R,6S)-6-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 168721549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).