2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27NOS — CID 115420341

IUPAC2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1S(=O)C1CCCC1
InChIInChI=1S/C18H27NOS/c1-3-19-18-16-11-7-6-10-15(16)13(2)12-17(18)21(20)14-8-4-5-9-14/h6-7,10-11,13-14,17-19H,3-5,8-9,12H2,1-2H3
InChIKeyVSOJSNFMMDVGKN-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.90
Rot. Bonds4

About 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420341) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420341
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1S(=O)C1CCCC1
InChIInChI=1S/C18H27NOS/c1-3-19-18-16-11-7-6-10-15(16)13(2)12-17(18)21(20)14-8-4-5-9-14/h6-7,10-11,13-14,17-19H,3-5,8-9,12H2,1-2H3
InChIKeyVSOJSNFMMDVGKN-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420341) is 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2C(C)CC1S(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VSOJSNFMMDVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-3-19-18-16-11-7-6-10-15(16)13(2)12-17(18)21(20)14-8-4-5-9-14/h6-7,10-11,13-14,17-19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).