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

C16H30N4O3S — CID 72842316

IUPAC2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(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
InChIKeyFPRNNLZVEHNSJR-UHFFFAOYSA-N
MW358.51 g/mol
LogP0.20
Rot. Bonds3

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

2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72842316) has the molecular formula C16H30N4O3S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72842316
Molecular FormulaC16H30N4O3S
Molecular Weight358.51 g/mol
Exact Mass358.20
IUPAC Name2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(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
InChIKeyFPRNNLZVEHNSJR-UHFFFAOYSA-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 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-Isopropyl-2-[(4-methoxypiperidin-1-yl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72846932
7-Cyclopentyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918288
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 97142810
7-(Cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 45216818
9-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione
CID 59279684
1-[(3R)-4-[2,2-dimethyl-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidin-2-one
CID 129157420
2,7-Di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 159903033
(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 42508379
(5R)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 42508380
(4-Methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methanone
CID 53552550
1-[1-(3,5-Dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 53614671
2-[(4-Methyl-1-piperazinyl)carbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72856229

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72842316) is 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(S(=O)(=O)N3CCN(C)CC3)C2)C1=O.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FPRNNLZVEHNSJR-UHFFFAOYSA-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.
What are the key properties of 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
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 2-(4-methylpiperazin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72842316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).