N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C17H23NOS — CID 60556239

IUPACN-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCSC(C)C(=O)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C17H23NOS/c1-12(20-2)17(19)18(14-10-11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3
InChIKeyLUPMWWDQFDTPKB-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.81
Rot. Bonds4

About N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 60556239) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID60556239
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCSC(C)C(=O)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C17H23NOS/c1-12(20-2)17(19)18(14-10-11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3
InChIKeyLUPMWWDQFDTPKB-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
4-N-cyclopropyl-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1,4-dicarboxamide
CID 55761679
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-cyclopropyl-3-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 119728180
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75807762
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
N-cyclopropyl-2-hydroxy-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 112817478
3-(1-tert-butyl-1,2,4-triazol-3-yl)-1-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 127826932
7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
N-cyclopropyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55592024
1-cyclopropyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96562882
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 61455331

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 60556239) is N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CSC(C)C(=O)N(C1CC1)C1CCCc2ccccc21.
What is the InChIKey of N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is LUPMWWDQFDTPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-12(20-2)17(19)18(14-10-11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,12,14,16H,5,7,9-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 289.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 60556239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).