N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide

C17H24N2O3S — CID 167764155

IUPACN-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide
SMILESCN(C)CCc1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1
InChIInChI=1S/C17H24N2O3S/c1-19(2)8-7-13-3-5-15(6-4-13)18-16(20)14-9-17(10-14)11-23(21,22)12-17/h3-6,14H,7-12H2,1-2H3,(H,18,20)
InChIKeyHMOHOMXMUJZRSS-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.55
Rot. Bonds5

About N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide

N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide (PubChem CID 167764155) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide
PubChem CID167764155
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide
SMILESCN(C)CCc1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1
InChIInChI=1S/C17H24N2O3S/c1-19(2)8-7-13-3-5-15(6-4-13)18-16(20)14-9-17(10-14)11-23(21,22)12-17/h3-6,14H,7-12H2,1-2H3,(H,18,20)
InChIKeyHMOHOMXMUJZRSS-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide
CID 126819818
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
N-[4-[2-(dimethylamino)ethyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136523262
3-[4-[(6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carbonyl)amino]phenyl]propanoic acid
CID 120687981
dimethyl (E)-2-[4-[2-(dimethylamino)ethyl]anilino]but-2-enedioate
CID 168568822
1-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]cyclopropan-1-ol
CID 117313193
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
3-[4-[(4,4-difluorocyclohexanecarbonyl)amino]phenyl]propanoic acid
CID 99819377
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 136529868
N-[4-[2-(dimethylamino)ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 126829256

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide (CID 167764155) is N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide is CN(C)CCc1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide?
The InChIKey is HMOHOMXMUJZRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-19(2)8-7-13-3-5-15(6-4-13)18-16(20)14-9-17(10-14)11-23(21,22)12-17/h3-6,14H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide?
N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethyl]phenyl]-2,2-dioxo-2λ6-thiaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 167764155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).