(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C13H24N2O3S — CID 97371297

IUPAC(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)[C@@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C13H24N2O3S/c1-14(2)11-9-13(18-10-11)5-7-15(8-6-13)19(16,17)12-3-4-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeySIUVWJISYIXJFZ-NSHDSACASA-N
MW288.41 g/mol
LogP0.66
Rot. Bonds3

About (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97371297) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97371297
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)[C@@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C13H24N2O3S/c1-14(2)11-9-13(18-10-11)5-7-15(8-6-13)19(16,17)12-3-4-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeySIUVWJISYIXJFZ-NSHDSACASA-N
XLogP0.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine with MolForge

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Related Compounds

8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 131653681
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450586
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-hydroxycyclobutyl)methanone
CID 131690369
3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide
CID 118739208
1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131690386
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371394
8-cyclopropylsulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 118745503
8-cyclopropylsulfonyl-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131644438
[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450581
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
(3R)-8-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371282
(3R)-8-(furan-3-ylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371272

Frequently Asked Questions

What is the IUPAC name of (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97371297) is (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)[C@@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1.
What is the InChIKey of (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is SIUVWJISYIXJFZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-14(2)11-9-13(18-10-11)5-7-15(8-6-13)19(16,17)12-3-4-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 288.41 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97371297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).