4-[2-(thiolan-3-ylmethylamino)propyl]phenol

C14H21NOS — CID 107166188

IUPAC4-[2-(thiolan-3-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCC1CCSC1
InChIInChI=1S/C14H21NOS/c1-11(15-9-13-6-7-17-10-13)8-12-2-4-14(16)5-3-12/h2-5,11,13,15-16H,6-10H2,1H3
InChIKeyGTCOBKBWBCVNCK-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.67
Rot. Bonds5

About 4-[2-(thiolan-3-ylmethylamino)propyl]phenol

4-[2-(thiolan-3-ylmethylamino)propyl]phenol (PubChem CID 107166188) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-[2-(thiolan-3-ylmethylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(thiolan-3-ylmethylamino)propyl]phenol
PubChem CID107166188
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-[2-(thiolan-3-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCC1CCSC1
InChIInChI=1S/C14H21NOS/c1-11(15-9-13-6-7-17-10-13)8-12-2-4-14(16)5-3-12/h2-5,11,13,15-16H,6-10H2,1H3
InChIKeyGTCOBKBWBCVNCK-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(thian-4-ylmethyl)propan-2-amine
CID 103910777
4-[2-(oxolan-3-ylmethylamino)propyl]phenol
CID 115494210
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
4-[2-(thiolan-3-ylmethylamino)ethyl]phenol
CID 107131937
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 115494201
4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
1-[4-(2-methylpropyl)phenyl]-2-(thiolan-3-ylmethylamino)ethanol
CID 107295710
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
5-methyl-2-[1-(thiolan-3-ylmethylamino)ethyl]phenol
CID 107295152
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiolan-3-ylmethylamino)propyl]phenol?
The IUPAC name of 4-[2-(thiolan-3-ylmethylamino)propyl]phenol (CID 107166188) is 4-[2-(thiolan-3-ylmethylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(thiolan-3-ylmethylamino)propyl]phenol?
The canonical SMILES for 4-[2-(thiolan-3-ylmethylamino)propyl]phenol is CC(Cc1ccc(O)cc1)NCC1CCSC1.
What is the InChIKey of 4-[2-(thiolan-3-ylmethylamino)propyl]phenol?
The InChIKey is GTCOBKBWBCVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15-9-13-6-7-17-10-13)8-12-2-4-14(16)5-3-12/h2-5,11,13,15-16H,6-10H2,1H3.
What are the key properties of 4-[2-(thiolan-3-ylmethylamino)propyl]phenol?
4-[2-(thiolan-3-ylmethylamino)propyl]phenol has a molecular weight of 251.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiolan-3-ylmethylamino)propyl]phenol is sourced from PubChem (CID 107166188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).