4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C15H22N4O4S2 — CID 91909780

IUPAC4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)N(CC2CC2)C(=O)CS3=O)c1
InChIInChI=1S/C15H22N4O4S2/c1-17-9-13(16-11-17)25(22,23)18-6-4-15(5-7-18)19(8-12-2-3-12)14(20)10-24(15)21/h9,11-12H,2-8,10H2,1H3
InChIKeyWOTRZBOQUDUHQH-UHFFFAOYSA-N
MW386.50 g/mol
LogP-0.10
Rot. Bonds4

About 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91909780) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91909780
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)N(CC2CC2)C(=O)CS3=O)c1
InChIInChI=1S/C15H22N4O4S2/c1-17-9-13(16-11-17)25(22,23)18-6-4-15(5-7-18)19(8-12-2-3-12)14(20)10-24(15)21/h9,11-12H,2-8,10H2,1H3
InChIKeyWOTRZBOQUDUHQH-UHFFFAOYSA-N
XLogP-0.10
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(benzenesulfonyl)-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91909779
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CID 91908949
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
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2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
9-(1-methylimidazol-4-yl)sulfonyl-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97137035
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942550
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
CID 121164701

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91909780) is 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is Cn1cnc(S(=O)(=O)N2CCC3(CC2)N(CC2CC2)C(=O)CS3=O)c1.
What is the InChIKey of 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WOTRZBOQUDUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-17-9-13(16-11-17)25(22,23)18-6-4-15(5-7-18)19(8-12-2-3-12)14(20)10-24(15)21/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 386.50 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-8-(1-methylimidazol-4-yl)sulfonyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91909780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).