N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide

C18H23N3O3S2 — CID 33006308

IUPACN,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-19(2)26(23,24)21-11-9-20(10-12-21)18(22)14-25-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMSTPSCNSCINLKH-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.88
Rot. Bonds5

About N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide (PubChem CID 33006308) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
PubChem CID33006308
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-19(2)26(23,24)21-11-9-20(10-12-21)18(22)14-25-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMSTPSCNSCINLKH-UHFFFAOYSA-N
XLogP1.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
2-(4-chlorophenyl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2632052
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 26752413
1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 119373976
2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797905
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide
CID 33384848
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 42965374
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 55810157
N,N-diethyl-4-[2-(4-nitrophenyl)sulfanylacetyl]piperazine-1-sulfonamide
CID 55526803

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide (CID 33006308) is N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)CSc2ccc3ccccc3c2)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide?
The InChIKey is MSTPSCNSCINLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-19(2)26(23,24)21-11-9-20(10-12-21)18(22)14-25-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide has a molecular weight of 393.53 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 33006308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).