8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H17N3O4S — CID 47387234

IUPAC8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C10H17N3O4S/c1-2-7-18(16,17)13-5-3-10(4-6-13)8(14)11-9(15)12-10/h2-7H2,1H3,(H2,11,12,14,15)
InChIKeySMPXZKIERQPSRS-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.60
Rot. Bonds3

About 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 47387234) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID47387234
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C10H17N3O4S/c1-2-7-18(16,17)13-5-3-10(4-6-13)8(14)11-9(15)12-10/h2-7H2,1H3,(H2,11,12,14,15)
InChIKeySMPXZKIERQPSRS-UHFFFAOYSA-N
XLogP-0.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N,N-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-sulfonamide
CID 16896764
8-(Butylsulfonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377678
8-(Butane-1-sulfonyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27621891
3-Methyl-8-(3-sulfanylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 177680861
8-(Difluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 55118570
8-(Trifluoromethylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62850207
5,5-Dimethyl-3-[2-(3-methylpiperidin-1-yl)sulfonylethyl]imidazolidine-2,4-dione
CID 16358643
8-Methylsulfonyl-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27622491
3-Propyl-8-(propylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27622499
8-Butylsulfonyl-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 17968250
(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
CID 59794374
(5S)-5-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
CID 59794402

Frequently Asked Questions

What is the IUPAC name of 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 47387234) is 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCS(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SMPXZKIERQPSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-2-7-18(16,17)13-5-3-10(4-6-13)8(14)11-9(15)12-10/h2-7H2,1H3,(H2,11,12,14,15).
What are the key properties of 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 275.33 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47387234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).