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

C13H24N2O3S — CID 131661979

IUPAC8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(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
InChIKeySIUVWJISYIXJFZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.66
Rot. Bonds3

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

8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 131661979) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID131661979
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(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
InChIKeySIUVWJISYIXJFZ-UHFFFAOYSA-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

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Related Compounds

8-Methylsulfonyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 17174853
N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97476102
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97485996
3-(Cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 131647180
3-(Cyclopropylmethoxymethyl)-8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 131656818
8-Hexan-3-ylsulfonyl-7-methyl-1-oxa-8-azaspiro[4.5]decane
CID 91375655
N-(8-tert-butyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-methylmethanesulfonamide
CID 126502692
tert-butyl (3R)-3-[cyclopropylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502865
(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126505784
N-methyl-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
CID 126506394
(3R)-3-[cyclopropylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126506408
N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]cyclopropanesulfonamide
CID 126506465

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 131661979) is 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)C1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1.
What is the InChIKey of 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is SIUVWJISYIXJFZ-UHFFFAOYSA-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.
What are the key properties of 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
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 8-cyclopropylsulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131661979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).