2-methyl-4-(thiolan-3-ylmethylamino)phenol

C12H17NOS — CID 107132308

IUPAC2-methyl-4-(thiolan-3-ylmethylamino)phenol
SMILESCc1cc(NCC2CCSC2)ccc1O
InChIInChI=1S/C12H17NOS/c1-9-6-11(2-3-12(9)14)13-7-10-4-5-15-8-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3
InChIKeyYCPCKMHUEZJTCP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.87
Rot. Bonds3

About 2-methyl-4-(thiolan-3-ylmethylamino)phenol

2-methyl-4-(thiolan-3-ylmethylamino)phenol (PubChem CID 107132308) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-4-(thiolan-3-ylmethylamino)phenol.

Molecular Properties

Compound Name2-methyl-4-(thiolan-3-ylmethylamino)phenol
PubChem CID107132308
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-methyl-4-(thiolan-3-ylmethylamino)phenol
SMILESCc1cc(NCC2CCSC2)ccc1O
InChIInChI=1S/C12H17NOS/c1-9-6-11(2-3-12(9)14)13-7-10-4-5-15-8-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3
InChIKeyYCPCKMHUEZJTCP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
3-ethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131230
4-chloro-3-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107268141
3-bromo-4-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107132181
2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131863
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
3-propan-2-yl-N-(thiolan-3-ylmethyl)aniline
CID 107131296
2-chloro-N,N-dimethyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131586
4-N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107294910
methyl 3-(thiolan-3-ylmethylamino)benzoate
CID 107131380
4-(thiolan-3-ylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 107298324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiolan-3-ylmethylamino)phenol?
The IUPAC name of 2-methyl-4-(thiolan-3-ylmethylamino)phenol (CID 107132308) is 2-methyl-4-(thiolan-3-ylmethylamino)phenol.
What is the SMILES notation for 2-methyl-4-(thiolan-3-ylmethylamino)phenol?
The canonical SMILES for 2-methyl-4-(thiolan-3-ylmethylamino)phenol is Cc1cc(NCC2CCSC2)ccc1O.
What is the InChIKey of 2-methyl-4-(thiolan-3-ylmethylamino)phenol?
The InChIKey is YCPCKMHUEZJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-11(2-3-12(9)14)13-7-10-4-5-15-8-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3.
What are the key properties of 2-methyl-4-(thiolan-3-ylmethylamino)phenol?
2-methyl-4-(thiolan-3-ylmethylamino)phenol has a molecular weight of 223.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiolan-3-ylmethylamino)phenol is sourced from PubChem (CID 107132308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).