N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine

C17H21NS — CID 83196512

IUPACN-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
SMILESCCNC1CSCC1Cc1cccc2ccccc12
InChIInChI=1S/C17H21NS/c1-2-18-17-12-19-11-15(17)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15,17-18H,2,10-12H2,1H3
InChIKeyWUJTXDFWXDZJOV-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.72
Rot. Bonds4

About N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine

N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine (PubChem CID 83196512) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
PubChem CID83196512
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine
SMILESCCNC1CSCC1Cc1cccc2ccccc12
InChIInChI=1S/C17H21NS/c1-2-18-17-12-19-11-15(17)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15,17-18H,2,10-12H2,1H3
InChIKeyWUJTXDFWXDZJOV-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine?
The IUPAC name of N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine (CID 83196512) is N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine is CCNC1CSCC1Cc1cccc2ccccc12.
What is the InChIKey of N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine?
The InChIKey is WUJTXDFWXDZJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-18-17-12-19-11-15(17)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15,17-18H,2,10-12H2,1H3.
What are the key properties of N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine?
N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine has a molecular weight of 271.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(naphthalen-1-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 83196512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).