7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H25NO4S — CID 64674104

IUPAC7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1S(=O)(=O)C1CCCC1)OCCO2
InChIInChI=1S/C14H25NO4S/c1-15-12-6-7-14(18-8-9-19-14)10-13(12)20(16,17)11-4-2-3-5-11/h11-13,15H,2-10H2,1H3
InChIKeyUPJXBWVNCBVUID-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.23
Rot. Bonds3

About 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64674104) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64674104
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1S(=O)(=O)C1CCCC1)OCCO2
InChIInChI=1S/C14H25NO4S/c1-15-12-6-7-14(18-8-9-19-14)10-13(12)20(16,17)11-4-2-3-5-11/h11-13,15H,2-10H2,1H3
InChIKeyUPJXBWVNCBVUID-UHFFFAOYSA-N
XLogP1.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646772
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340
7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62918057
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
CID 64675198
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62123551
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036
7-N-[3-(dimethylamino)propyl]-7-N-ethyl-8-N-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 102992463
7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 63206528
7-(4-bromophenyl)sulfinyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653643

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64674104) is 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1S(=O)(=O)C1CCCC1)OCCO2.
What is the InChIKey of 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UPJXBWVNCBVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-15-12-6-7-14(18-8-9-19-14)10-13(12)20(16,17)11-4-2-3-5-11/h11-13,15H,2-10H2,1H3.
What are the key properties of 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 303.42 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64674104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).