(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C16H30N4O3S — CID 97138589

IUPAC(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(S(=O)(=O)N3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C16H30N4O3S/c1-14(2)20-7-4-5-16(15(20)21)6-8-19(13-16)24(22,23)18-11-9-17(3)10-12-18/h14H,4-13H2,1-3H3/t16-/m1/s1
InChIKeyFPRNNLZVEHNSJR-MRXNPFEDSA-N
MW358.51 g/mol
LogP0.20
Rot. Bonds3

About (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97138589) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97138589
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCC[C@]2(CCN(S(=O)(=O)N3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C16H30N4O3S/c1-14(2)20-7-4-5-16(15(20)21)6-8-19(13-16)24(22,23)18-11-9-17(3)10-12-18/h14H,4-13H2,1-3H3/t16-/m1/s1
InChIKeyFPRNNLZVEHNSJR-MRXNPFEDSA-N
XLogP0.20
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97138589) is (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCC[C@]2(CCN(S(=O)(=O)N3CCN(C)CC3)C2)C1=O.
What is the InChIKey of (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FPRNNLZVEHNSJR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H30N4O3S/c1-14(2)20-7-4-5-16(15(20)21)6-8-19(13-16)24(22,23)18-11-9-17(3)10-12-18/h14H,4-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.51 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97138589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).