N-(2-methoxy-4-methylphenyl)thiolan-3-amine

C12H17NOS — CID 60932234

IUPACN-(2-methoxy-4-methylphenyl)thiolan-3-amine
SMILESCOc1cc(C)ccc1NC1CCSC1
InChIInChI=1S/C12H17NOS/c1-9-3-4-11(12(7-9)14-2)13-10-5-6-15-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyZLSFBXTXJXAKJR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.92
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)thiolan-3-amine

N-(2-methoxy-4-methylphenyl)thiolan-3-amine (PubChem CID 60932234) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)thiolan-3-amine
PubChem CID60932234
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2-methoxy-4-methylphenyl)thiolan-3-amine
SMILESCOc1cc(C)ccc1NC1CCSC1
InChIInChI=1S/C12H17NOS/c1-9-3-4-11(12(7-9)14-2)13-10-5-6-15-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyZLSFBXTXJXAKJR-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-(2-bromo-5-methylphenyl)thiolan-3-amine
CID 75525411
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine
CID 43738970
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
N-(2-bromo-4-methylphenyl)thian-4-amine
CID 43511235
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
4-N,4-N,2-trimethyl-1-N-(thiolan-3-yl)benzene-1,4-diamine
CID 43676939
N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
CID 54865516
N-(4-methyl-2-nitrophenyl)thian-3-amine
CID 55129449
methyl 3-methyl-4-(thian-3-ylamino)benzoate
CID 62871262

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)thiolan-3-amine?
The IUPAC name of N-(2-methoxy-4-methylphenyl)thiolan-3-amine (CID 60932234) is N-(2-methoxy-4-methylphenyl)thiolan-3-amine.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)thiolan-3-amine?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)thiolan-3-amine is COc1cc(C)ccc1NC1CCSC1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)thiolan-3-amine?
The InChIKey is ZLSFBXTXJXAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-3-4-11(12(7-9)14-2)13-10-5-6-15-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3.
What are the key properties of N-(2-methoxy-4-methylphenyl)thiolan-3-amine?
N-(2-methoxy-4-methylphenyl)thiolan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)thiolan-3-amine is sourced from PubChem (CID 60932234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).