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

C13H25NO4S — CID 64675340

IUPAC7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCS(=O)(=O)C1CC2(CCC1NC)OCCO2
InChIInChI=1S/C13H25NO4S/c1-3-4-9-19(15,16)12-10-13(17-7-8-18-13)6-5-11(12)14-2/h11-12,14H,3-10H2,1-2H3
InChIKeyYACLZNQHQLTZGR-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.08
Rot. Bonds5

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

7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 64675340) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID64675340
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCS(=O)(=O)C1CC2(CCC1NC)OCCO2
InChIInChI=1S/C13H25NO4S/c1-3-4-9-19(15,16)12-10-13(17-7-8-18-13)6-5-11(12)14-2/h11-12,14H,3-10H2,1-2H3
InChIKeyYACLZNQHQLTZGR-UHFFFAOYSA-N
XLogP1.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43191004
2-(1,4-Dioxaspiro[4.5]decan-8-ylamino)ethanesulfonamide
CID 43551819
N-(1,1-dioxothian-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43615064
N-(3-methyl-1,1-dioxothiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43679873
N-(3-methylsulfonylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54905955
N-[(1,1-dioxothiolan-3-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 54915278
N-(2-methylsulfonylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54931878
N-(3-methylsulfanylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958219
3-(1,4-Dioxaspiro[4.5]decan-8-ylamino)propane-1-sulfonamide
CID 61902040
7-Methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62784748
7-methylsulfonyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62786280
N-methyl-7-methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62786464

Frequently Asked Questions

What is the IUPAC name of 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 64675340) is 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCCS(=O)(=O)C1CC2(CCC1NC)OCCO2.
What is the InChIKey of 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is YACLZNQHQLTZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-3-4-9-19(15,16)12-10-13(17-7-8-18-13)6-5-11(12)14-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 291.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 64675340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).