N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

C14H28N2O3S — CID 87053400

IUPACN,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESCCCS(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-4-9-20(17,18)16-11-13(10-15(2)3)14(12-16)5-7-19-8-6-14/h13H,4-12H2,1-3H3
InChIKeyNCCHEAWCTYYYOT-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.02
Rot. Bonds5

About N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (PubChem CID 87053400) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
PubChem CID87053400
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESCCCS(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-4-9-20(17,18)16-11-13(10-15(2)3)14(12-16)5-7-19-8-6-14/h13H,4-12H2,1-3H3
InChIKeyNCCHEAWCTYYYOT-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
N,N-dimethyl-1-(6-oxaspiro[2.5]octan-2-yl)methanamine
CID 131182851
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 87053369
4-propylsulfonyl-1,4-oxazepane
CID 62067172
2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
CID 91915843
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91927468
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
CID 91921325
6-propylsulfonyl-1,2,6-triazaspiro[2.5]oct-1-ene
CID 172882114
N-methyl-N-[(7R)-5-propylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911566
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (CID 87053400) is N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is CCCS(=O)(=O)N1CC(CN(C)C)C2(CCOCC2)C1.
What is the InChIKey of N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The InChIKey is NCCHEAWCTYYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-4-9-20(17,18)16-11-13(10-15(2)3)14(12-16)5-7-19-8-6-14/h13H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine has a molecular weight of 304.46 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is sourced from PubChem (CID 87053400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).