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

C14H27NOS — CID 114817921

IUPACN-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
SMILESCS(=O)CCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H27NOS/c1-17(16)12-4-11-15-13-5-9-14(10-6-13)7-2-3-8-14/h13,15H,2-12H2,1H3
InChIKeyFQDOGUBGIKFXNO-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.85
Rot. Bonds5

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

N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine (PubChem CID 114817921) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
PubChem CID114817921
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
SMILESCS(=O)CCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H27NOS/c1-17(16)12-4-11-15-13-5-9-14(10-6-13)7-2-3-8-14/h13,15H,2-12H2,1H3
InChIKeyFQDOGUBGIKFXNO-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfinylpropyl)oxan-4-amine
CID 115654136
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188
2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
CID 106659028
4-(spiro[4.5]decan-8-ylamino)butanoic acid
CID 114817440
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
N-(3-piperidin-1-ylpropyl)spiro[4.5]decan-8-amine
CID 114817155
N-(2-fluoroethyl)spiro[4.5]decan-8-amine
CID 130503762
N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
CID 114816994
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
N-(3-methylsulfinylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448796
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
CID 114817951
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine (CID 114817921) is N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine is CS(=O)CCCNC1CCC2(CCCC2)CC1.
What is the InChIKey of N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine?
The InChIKey is FQDOGUBGIKFXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-17(16)12-4-11-15-13-5-9-14(10-6-13)7-2-3-8-14/h13,15H,2-12H2,1H3.
What are the key properties of N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine?
N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine has a molecular weight of 257.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).