N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide

C25H33N5O4S — CID 91454344

IUPACN,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(C=C(C(=O)N3CCN(Cc4ccc5ccccc5c4)CC3)NO2)CC1
InChIInChI=1S/C25H33N5O4S/c1-27(2)35(32,33)30-11-9-25(10-12-30)18-23(26-34-25)24(31)29-15-13-28(14-16-29)19-20-7-8-21-5-3-4-6-22(21)17-20/h3-8,17-18,26H,9-16,19H2,1-2H3
InChIKeyFTFSGDBPBYMJEQ-UHFFFAOYSA-N
MW499.64 g/mol
LogP1.54
Rot. Bonds5

About N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide

N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide (PubChem CID 91454344) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide
PubChem CID91454344
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC NameN,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(C=C(C(=O)N3CCN(Cc4ccc5ccccc5c4)CC3)NO2)CC1
InChIInChI=1S/C25H33N5O4S/c1-27(2)35(32,33)30-11-9-25(10-12-30)18-23(26-34-25)24(31)29-15-13-28(14-16-29)19-20-7-8-21-5-3-4-6-22(21)17-20/h3-8,17-18,26H,9-16,19H2,1-2H3
InChIKeyFTFSGDBPBYMJEQ-UHFFFAOYSA-N
XLogP1.54
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]methanone
CID 90936466
N,N-dimethyl-3-[4-(3-phenylpropyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide
CID 90702871
3-[4-[(4-tert-butylphenyl)methyl]piperazine-1-carbonyl]-N,N-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide
CID 90854053
(8-Benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 91104572

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide (CID 91454344) is N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide is CN(C)S(=O)(=O)N1CCC2(C=C(C(=O)N3CCN(Cc4ccc5ccccc5c4)CC3)NO2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide?
The InChIKey is FTFSGDBPBYMJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-27(2)35(32,33)30-11-9-25(10-12-30)18-23(26-34-25)24(31)29-15-13-28(14-16-29)19-20-7-8-21-5-3-4-6-22(21)17-20/h3-8,17-18,26H,9-16,19H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide?
N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide has a molecular weight of 499.64 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide is sourced from PubChem (CID 91454344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).