2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine

C16H21NOS — CID 115896237

IUPAC2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
SMILESCC(NCC(C)S(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NOS/c1-12(19(3)18)11-17-13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,12-13,17H,11H2,1-3H3
InChIKeyDITPUUFFAKESDQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.26
Rot. Bonds5

About 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine

2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine (PubChem CID 115896237) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
PubChem CID115896237
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
SMILESCC(NCC(C)S(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NOS/c1-12(19(3)18)11-17-13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,12-13,17H,11H2,1-3H3
InChIKeyDITPUUFFAKESDQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115896159
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
CID 113341996
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896124
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
CID 115898754

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine?
The IUPAC name of 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine (CID 115896237) is 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine is CC(NCC(C)S(C)=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine?
The InChIKey is DITPUUFFAKESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(19(3)18)11-17-13(2)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,12-13,17H,11H2,1-3H3.
What are the key properties of 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine?
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 115896237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).