3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide

C15H31N3O3S — CID 131644894

IUPAC3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCOCC1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1C(C)C
InChIInChI=1S/C15H31N3O3S/c1-13(2)18-12-15(10-14(18)11-21-5)6-8-17(9-7-15)22(19,20)16(3)4/h13-14H,6-12H2,1-5H3
InChIKeyBIHQQYNDTYTDCV-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.00
Rot. Bonds5

About 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide

3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide (PubChem CID 131644894) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide
PubChem CID131644894
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCOCC1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1C(C)C
InChIInChI=1S/C15H31N3O3S/c1-13(2)18-12-15(10-14(18)11-21-5)6-8-17(9-7-15)22(19,20)16(3)4/h13-14H,6-12H2,1-5H3
InChIKeyBIHQQYNDTYTDCV-UHFFFAOYSA-N
XLogP1.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-8-(cyclopropylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375029
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
CID 131654595
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655457
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131684868
2-cyclopentyloxy-1-[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97476740
(4-fluorophenyl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134077951
(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375014
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 171692453
(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97375004
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134074221
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867
(3R)-3-(methoxymethyl)-2-methyl-8-(3-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 97482562

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
The IUPAC name of 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide (CID 131644894) is 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide is COCC1CC2(CCN(S(=O)(=O)N(C)C)CC2)CN1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
The InChIKey is BIHQQYNDTYTDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-13(2)18-12-15(10-14(18)11-21-5)6-8-17(9-7-15)22(19,20)16(3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide?
3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 131644894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).