1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide

C12H22N2O3S — CID 146311376

IUPAC1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)N[C@H]1COC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O3S/c15-18(16,9-10-1-2-10)14-11-7-12(17-8-11)3-5-13-6-4-12/h10-11,13-14H,1-9H2/t11-/m1/s1
InChIKeyVGWBQWHQVZDQNN-LLVKDONJSA-N
MW274.39 g/mol
LogP0.23
Rot. Bonds4

About 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide

1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide (PubChem CID 146311376) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
PubChem CID146311376
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)N[C@H]1COC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O3S/c15-18(16,9-10-1-2-10)14-11-7-12(17-8-11)3-5-13-6-4-12/h10-11,13-14H,1-9H2/t11-/m1/s1
InChIKeyVGWBQWHQVZDQNN-LLVKDONJSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide (CID 146311376) is 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide is O=S(=O)(CC1CC1)N[C@H]1COC2(CCNCC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
The InChIKey is VGWBQWHQVZDQNN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-18(16,9-10-1-2-10)14-11-7-12(17-8-11)3-5-13-6-4-12/h10-11,13-14H,1-9H2/t11-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide?
1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide is sourced from PubChem (CID 146311376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).