N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine

C14H21NS — CID 115718210

IUPACN-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
SMILESCc1cc(C)cc(C(C)NC2CCSC2)c1
InChIInChI=1S/C14H21NS/c1-10-6-11(2)8-13(7-10)12(3)15-14-4-5-16-9-14/h6-8,12,14-15H,4-5,9H2,1-3H3
InChIKeyLBHWQLJGKMJLGF-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine

N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine (PubChem CID 115718210) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
PubChem CID115718210
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
SMILESCc1cc(C)cc(C(C)NC2CCSC2)c1
InChIInChI=1S/C14H21NS/c1-10-6-11(2)8-13(7-10)12(3)15-14-4-5-16-9-14/h6-8,12,14-15H,4-5,9H2,1-3H3
InChIKeyLBHWQLJGKMJLGF-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
CID 103777484
N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
N-[1-(4-iodophenyl)ethyl]thian-3-amine
CID 115726645
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139908
(3R)-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139910
N-[1-[4-(trifluoromethyl)phenyl]ethyl]thian-3-amine
CID 62872906

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine (CID 115718210) is N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine is Cc1cc(C)cc(C(C)NC2CCSC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine?
The InChIKey is LBHWQLJGKMJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-6-11(2)8-13(7-10)12(3)15-14-4-5-16-9-14/h6-8,12,14-15H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine?
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine has a molecular weight of 235.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115718210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).