N-[(2-ethylphenyl)methyl]thiolan-3-amine

C13H19NS — CID 64682824

IUPACN-[(2-ethylphenyl)methyl]thiolan-3-amine
SMILESCCc1ccccc1CNC1CCSC1
InChIInChI=1S/C13H19NS/c1-2-11-5-3-4-6-12(11)9-14-13-7-8-15-10-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyRWRKLXAGWZXGPU-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.84
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]thiolan-3-amine

N-[(2-ethylphenyl)methyl]thiolan-3-amine (PubChem CID 64682824) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]thiolan-3-amine
PubChem CID64682824
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-[(2-ethylphenyl)methyl]thiolan-3-amine
SMILESCCc1ccccc1CNC1CCSC1
InChIInChI=1S/C13H19NS/c1-2-11-5-3-4-6-12(11)9-14-13-7-8-15-10-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyRWRKLXAGWZXGPU-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
2-[(thian-3-ylamino)methyl]phenol
CID 115676061
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
N-[(2-bromo-4-methylphenyl)methyl]thiolan-3-amine
CID 103845115
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide
CID 50970896
N,N-dimethyl-3-[(thiolan-3-ylamino)methyl]pyridin-2-amine
CID 115709441

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]thiolan-3-amine (CID 64682824) is N-[(2-ethylphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]thiolan-3-amine is CCc1ccccc1CNC1CCSC1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]thiolan-3-amine?
The InChIKey is RWRKLXAGWZXGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-11-5-3-4-6-12(11)9-14-13-7-8-15-10-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]thiolan-3-amine?
N-[(2-ethylphenyl)methyl]thiolan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 64682824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).