5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline

C15H21ClN2O2S — CID 63156801

IUPAC5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
SMILESNc1cc(S(=O)(=O)N2CCC3(CCCC3)CC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c16-13-4-3-12(11-14(13)17)21(19,20)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10,17H2
InChIKeyOROMPCVZPNMCRR-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.27
Rot. Bonds2

About 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline

5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline (PubChem CID 63156801) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline.

Molecular Properties

Compound Name5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
PubChem CID63156801
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC Name5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
SMILESNc1cc(S(=O)(=O)N2CCC3(CCCC3)CC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c16-13-4-3-12(11-14(13)17)21(19,20)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10,17H2
InChIKeyOROMPCVZPNMCRR-UHFFFAOYSA-N
XLogP3.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane
CID 63160154
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212622
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-fluoroaniline
CID 63156800

Frequently Asked Questions

What is the IUPAC name of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline?
The IUPAC name of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline (CID 63156801) is 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline.
What is the SMILES notation for 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline?
The canonical SMILES for 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline is Nc1cc(S(=O)(=O)N2CCC3(CCCC3)CC2)ccc1Cl.
What is the InChIKey of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline?
The InChIKey is OROMPCVZPNMCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-13-4-3-12(11-14(13)17)21(19,20)18-9-7-15(8-10-18)5-1-2-6-15/h3-4,11H,1-2,5-10,17H2.
What are the key properties of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline?
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline has a molecular weight of 328.86 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline is sourced from PubChem (CID 63156801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).