N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine

C14H27NO4S — CID 64644910

IUPACN-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1S(=O)(=O)CCC)OCCO2
InChIInChI=1S/C14H27NO4S/c1-3-7-15-12-5-6-14(18-8-9-19-14)11-13(12)20(16,17)10-4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyXKTDLVVTSFKEDY-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.48
Rot. Bonds6

About N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine

N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64644910) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64644910
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC NameN-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1S(=O)(=O)CCC)OCCO2
InChIInChI=1S/C14H27NO4S/c1-3-7-15-12-5-6-14(18-8-9-19-14)11-13(12)20(16,17)10-4-2/h12-13,15H,3-11H2,1-2H3
InChIKeyXKTDLVVTSFKEDY-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340
7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646772
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14552387
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653912
ethyl (7S,8S)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 18632328
2,2-dimethyl-N-propyl-5-propylsulfonylcyclopentan-1-amine
CID 79863016
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
N-ethyl-7-thiophen-2-ylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646395
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
CID 66137561
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104

Frequently Asked Questions

What is the IUPAC name of N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64644910) is N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1S(=O)(=O)CCC)OCCO2.
What is the InChIKey of N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is XKTDLVVTSFKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-3-7-15-12-5-6-14(18-8-9-19-14)11-13(12)20(16,17)10-4-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 305.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64644910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).