N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

C18H27N3O3S — CID 20952521

IUPACN-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
SMILESCc1cccc(CN2CCCN(CC(=O)NC3CCCC3)S2(=O)=O)c1
InChIInChI=1S/C18H27N3O3S/c1-15-6-4-7-16(12-15)13-20-10-5-11-21(25(20,23)24)14-18(22)19-17-8-2-3-9-17/h4,6-7,12,17H,2-3,5,8-11,13-14H2,1H3,(H,19,22)
InChIKeyHDPFYMKICYMNLY-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.81
Rot. Bonds5

About N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (PubChem CID 20952521) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
PubChem CID20952521
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
SMILESCc1cccc(CN2CCCN(CC(=O)NC3CCCC3)S2(=O)=O)c1
InChIInChI=1S/C18H27N3O3S/c1-15-6-4-7-16(12-15)13-20-10-5-11-21(25(20,23)24)14-18(22)19-17-8-2-3-9-17/h4,6-7,12,17H,2-3,5,8-11,13-14H2,1H3,(H,19,22)
InChIKeyHDPFYMKICYMNLY-UHFFFAOYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53029107
N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952518
2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20952527
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
CID 50793191
N-[(4-methoxyphenyl)methyl]-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952531
2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 20921540
N-(2,4-dimethoxyphenyl)-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 18590916
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-(3,4-dimethylphenyl)-2-[5-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 20921416
N-(3,5-dimethylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199093
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (CID 20952521) is N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is Cc1cccc(CN2CCCN(CC(=O)NC3CCCC3)S2(=O)=O)c1.
What is the InChIKey of N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?
The InChIKey is HDPFYMKICYMNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-15-6-4-7-16(12-15)13-20-10-5-11-21(25(20,23)24)14-18(22)19-17-8-2-3-9-17/h4,6-7,12,17H,2-3,5,8-11,13-14H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?
N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is sourced from PubChem (CID 20952521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).