(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C17H28N4O3S — CID 97112572

IUPAC(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C17H28N4O3S/c1-4-10-21-15(6-9-18-21)25(23,24)19-12-8-17(13-19)7-5-11-20(14(2)3)16(17)22/h6,9,14H,4-5,7-8,10-13H2,1-3H3/t17-/m1/s1
InChIKeyMHHYQPIMNPAHOH-QGZVFWFLSA-N
MW368.50 g/mol
LogP1.70
Rot. Bonds5

About (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97112572) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97112572
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C17H28N4O3S/c1-4-10-21-15(6-9-18-21)25(23,24)19-12-8-17(13-19)7-5-11-20(14(2)3)16(17)22/h6,9,14H,4-5,7-8,10-13H2,1-3H3/t17-/m1/s1
InChIKeyMHHYQPIMNPAHOH-QGZVFWFLSA-N
XLogP1.70
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 97112572) is (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is CCCn1nccc1S(=O)(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MHHYQPIMNPAHOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-10-21-15(6-9-18-21)25(23,24)19-12-8-17(13-19)7-5-11-20(14(2)3)16(17)22/h6,9,14H,4-5,7-8,10-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-propan-2-yl-2-(2-propylpyrazol-3-yl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97112572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).