1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide

C13H23NO4S — CID 79120070

IUPAC1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCC2(CC1)OCCO2)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H23NO4S/c1-14(19(15,16)10-11-2-3-11)12-4-6-13(7-5-12)17-8-9-18-13/h11-12H,2-10H2,1H3
InChIKeyVDUJQWSPTNDZKP-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.34
Rot. Bonds4

About 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide

1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide (PubChem CID 79120070) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide
PubChem CID79120070
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCC2(CC1)OCCO2)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H23NO4S/c1-14(19(15,16)10-11-2-3-11)12-4-6-13(7-5-12)17-8-9-18-13/h11-12H,2-10H2,1H3
InChIKeyVDUJQWSPTNDZKP-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide (CID 79120070) is 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide is CN(C1CCC2(CC1)OCCO2)S(=O)(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide?
The InChIKey is VDUJQWSPTNDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-14(19(15,16)10-11-2-3-11)12-4-6-13(7-5-12)17-8-9-18-13/h11-12H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide?
1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 79120070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).