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

C15H29NO3S — CID 64653912

IUPAC7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCS(=O)C1CC2(CCC1NCCC)OCCO2
InChIInChI=1S/C15H29NO3S/c1-3-5-11-20(17)14-12-15(18-9-10-19-15)7-6-13(14)16-8-4-2/h13-14,16H,3-12H2,1-2H3
InChIKeyFSLUTAXUVNQYIR-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.20
Rot. Bonds7

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

7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64653912) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64653912
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCS(=O)C1CC2(CCC1NCCC)OCCO2
InChIInChI=1S/C15H29NO3S/c1-3-5-11-20(17)14-12-15(18-9-10-19-15)7-6-13(14)16-8-4-2/h13-14,16H,3-12H2,1-2H3
InChIKeyFSLUTAXUVNQYIR-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

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Related Compounds

N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
2-pentylsulfinyl-N-propylcyclooctan-1-amine
CID 107759026
2-butylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64655762
ethyl (7S,8S)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 18632328
ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14552387
2-(3-methoxypropylsulfinyl)-N-propylcyclopentan-1-amine
CID 64659982
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 107758756
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
CID 66137561
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340

Frequently Asked Questions

What is the IUPAC name of 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64653912) is 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCCS(=O)C1CC2(CCC1NCCC)OCCO2.
What is the InChIKey of 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FSLUTAXUVNQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-3-5-11-20(17)14-12-15(18-9-10-19-15)7-6-13(14)16-8-4-2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 303.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64653912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).