N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide

C18H27NS — CID 19813294

IUPACN,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide
SMILESCCCN(CCC)C(=S)CC1CCCc2ccccc21
InChIInChI=1S/C18H27NS/c1-3-12-19(13-4-2)18(20)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-6,8,11,16H,3-4,7,9-10,12-14H2,1-2H3
InChIKeyODJAZOOJPZZGEV-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.95
Rot. Bonds6

About N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide

N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide (PubChem CID 19813294) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide.

Molecular Properties

Compound NameN,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide
PubChem CID19813294
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide
SMILESCCCN(CCC)C(=S)CC1CCCc2ccccc21
InChIInChI=1S/C18H27NS/c1-3-12-19(13-4-2)18(20)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-6,8,11,16H,3-4,7,9-10,12-14H2,1-2H3
InChIKeyODJAZOOJPZZGEV-UHFFFAOYSA-N
XLogP4.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111064684
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
CID 116708142
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111695405

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide?
The IUPAC name of N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide (CID 19813294) is N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide.
What is the SMILES notation for N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide?
The canonical SMILES for N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide is CCCN(CCC)C(=S)CC1CCCc2ccccc21.
What is the InChIKey of N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide?
The InChIKey is ODJAZOOJPZZGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-3-12-19(13-4-2)18(20)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-6,8,11,16H,3-4,7,9-10,12-14H2,1-2H3.
What are the key properties of N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide?
N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide has a molecular weight of 289.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide is sourced from PubChem (CID 19813294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).