1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea

C19H34N4O5S2 — CID 134126333

IUPAC1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea
SMILESO=C(NS(=O)(=O)N1CCC2(CCCC2)CC1)NS(=O)(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C19H34N4O5S2/c24-17(20-29(25,26)22-13-9-18(10-14-22)5-1-2-6-18)21-30(27,28)23-15-11-19(12-16-23)7-3-4-8-19/h1-16H2,(H2,20,21,24)
InChIKeyKUSJCYAKUORLSZ-UHFFFAOYSA-N
MW462.64 g/mol
LogP2.09
Rot. Bonds4

About 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea

1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea (PubChem CID 134126333) has the molecular formula C19H34N4O5S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea.

Molecular Properties

Compound Name1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea
PubChem CID134126333
Molecular FormulaC19H34N4O5S2
Molecular Weight462.64 g/mol
Exact Mass462.20
IUPAC Name1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea
SMILESO=C(NS(=O)(=O)N1CCC2(CCCC2)CC1)NS(=O)(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C19H34N4O5S2/c24-17(20-29(25,26)22-13-9-18(10-14-22)5-1-2-6-18)21-30(27,28)23-15-11-19(12-16-23)7-3-4-8-19/h1-16H2,(H2,20,21,24)
InChIKeyKUSJCYAKUORLSZ-UHFFFAOYSA-N
XLogP2.09
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
CID 134117155
1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
CID 134126330
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
(2S)-2-[(8-azaspiro[4.5]decan-8-ylsulfonylamino)methyl]-4,4-difluoropentanoic acid
CID 150899093
3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995
2-azaspiro[4.4]nonane-2-sulfonyl chloride
CID 130516395
3-(1,4-diazepan-1-ylsulfonyl)-3-azaspiro[5.5]undecane
CID 62937963
N-piperidin-1-ylsulfonylacetamide
CID 59405916
1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
CID 134126316
1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
CID 170311112
thiomorpholin-4-ylsulfonylcarbamic acid
CID 68549835

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea?
The IUPAC name of 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea (CID 134126333) is 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea.
What is the SMILES notation for 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea?
The canonical SMILES for 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea is O=C(NS(=O)(=O)N1CCC2(CCCC2)CC1)NS(=O)(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea?
The InChIKey is KUSJCYAKUORLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O5S2/c24-17(20-29(25,26)22-13-9-18(10-14-22)5-1-2-6-18)21-30(27,28)23-15-11-19(12-16-23)7-3-4-8-19/h1-16H2,(H2,20,21,24).
What are the key properties of 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea?
1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea has a molecular weight of 462.64 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea is sourced from PubChem (CID 134126333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).