N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine

C17H25NO2S — CID 114817465

IUPACN-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
SMILESCS(=O)(=O)c1cccc(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H25NO2S/c1-21(19,20)16-6-4-5-15(13-16)18-14-7-11-17(12-8-14)9-2-3-10-17/h4-6,13-14,18H,2-3,7-12H2,1H3
InChIKeyKAIRYCDYYUCJAT-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.01
Rot. Bonds3

About N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine

N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine (PubChem CID 114817465) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
PubChem CID114817465
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
SMILESCS(=O)(=O)c1cccc(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H25NO2S/c1-21(19,20)16-6-4-5-15(13-16)18-14-7-11-17(12-8-14)9-2-3-10-17/h4-6,13-14,18H,2-3,7-12H2,1H3
InChIKeyKAIRYCDYYUCJAT-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-iodophenyl)spiro[4.5]decan-8-amine
CID 114817215
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
3-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64759899
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990
2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252491
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-(3-methylsulfonylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 60923902
2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
CID 79927517

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine (CID 114817465) is N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine is CS(=O)(=O)c1cccc(NC2CCC3(CCCC3)CC2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine?
The InChIKey is KAIRYCDYYUCJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-21(19,20)16-6-4-5-15(13-16)18-14-7-11-17(12-8-14)9-2-3-10-17/h4-6,13-14,18H,2-3,7-12H2,1H3.
What are the key properties of N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine?
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine has a molecular weight of 307.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).