(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one

C12H18N4O3S — CID 97489759

IUPAC(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cnc(S(=O)(=O)N2CCC[C@]3(CCNC3=O)C2)c1
InChIInChI=1S/C12H18N4O3S/c1-15-7-10(14-9-15)20(18,19)16-6-2-3-12(8-16)4-5-13-11(12)17/h7,9H,2-6,8H2,1H3,(H,13,17)/t12-/m0/s1
InChIKeyDHCOLZTZDUBKSB-LBPRGKRZSA-N
MW298.37 g/mol
LogP-0.29
Rot. Bonds2

About (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97489759) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97489759
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cnc(S(=O)(=O)N2CCC[C@]3(CCNC3=O)C2)c1
InChIInChI=1S/C12H18N4O3S/c1-15-7-10(14-9-15)20(18,19)16-6-2-3-12(8-16)4-5-13-11(12)17/h7,9H,2-6,8H2,1H3,(H,13,17)/t12-/m0/s1
InChIKeyDHCOLZTZDUBKSB-LBPRGKRZSA-N
XLogP-0.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one (CID 97489759) is (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one is Cn1cnc(S(=O)(=O)N2CCC[C@]3(CCNC3=O)C2)c1.
What is the InChIKey of (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DHCOLZTZDUBKSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-15-7-10(14-9-15)20(18,19)16-6-2-3-12(8-16)4-5-13-11(12)17/h7,9H,2-6,8H2,1H3,(H,13,17)/t12-/m0/s1.
What are the key properties of (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 298.37 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(1-methylimidazol-4-yl)sulfonyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97489759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).