1-naphthalen-1-yl-2-propylsulfinylethanamine

C15H19NOS — CID 64653401

IUPAC1-naphthalen-1-yl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C15H19NOS/c1-2-10-18(17)11-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,16H2,1H3
InChIKeyMLXDRKQSFVCNSL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.00
Rot. Bonds5

About 1-naphthalen-1-yl-2-propylsulfinylethanamine

1-naphthalen-1-yl-2-propylsulfinylethanamine (PubChem CID 64653401) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-propylsulfinylethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-propylsulfinylethanamine
PubChem CID64653401
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-naphthalen-1-yl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C15H19NOS/c1-2-10-18(17)11-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,16H2,1H3
InChIKeyMLXDRKQSFVCNSL-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
propyl 3-amino-3-naphthalen-1-ylpropanoate
CID 23109941
N'-methyl-1-naphthalen-1-yl-N'-propylethane-1,2-diamine
CID 43271175
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
CID 64653562
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
2-pentylsulfinyl-1-phenylethanamine
CID 107758816
butane;1-propan-2-ylnaphthalene
CID 157253186
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-propylsulfinylethanamine?
The IUPAC name of 1-naphthalen-1-yl-2-propylsulfinylethanamine (CID 64653401) is 1-naphthalen-1-yl-2-propylsulfinylethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-2-propylsulfinylethanamine?
The canonical SMILES for 1-naphthalen-1-yl-2-propylsulfinylethanamine is CCCS(=O)CC(N)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-propylsulfinylethanamine?
The InChIKey is MLXDRKQSFVCNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-10-18(17)11-15(16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,16H2,1H3.
What are the key properties of 1-naphthalen-1-yl-2-propylsulfinylethanamine?
1-naphthalen-1-yl-2-propylsulfinylethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-propylsulfinylethanamine is sourced from PubChem (CID 64653401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).