[4-[(thiolan-3-ylamino)methyl]phenyl]methanol

C12H17NOS — CID 103062820

IUPAC[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CCSC2)cc1
InChIInChI=1S/C12H17NOS/c14-8-11-3-1-10(2-4-11)7-13-12-5-6-15-9-12/h1-4,12-14H,5-9H2
InChIKeyBZZWIPFHEHOOPV-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.77
Rot. Bonds4

About [4-[(thiolan-3-ylamino)methyl]phenyl]methanol

[4-[(thiolan-3-ylamino)methyl]phenyl]methanol (PubChem CID 103062820) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [4-[(thiolan-3-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
PubChem CID103062820
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CCSC2)cc1
InChIInChI=1S/C12H17NOS/c14-8-11-3-1-10(2-4-11)7-13-12-5-6-15-9-12/h1-4,12-14H,5-9H2
InChIKeyBZZWIPFHEHOOPV-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
[3-[(1,4-dithiepan-6-ylamino)methyl]phenyl]methanol
CID 122562649
N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine
CID 131110697
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 61240401
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
[4-[[(4,4-dimethylthian-3-yl)amino]methyl]phenyl]methanol
CID 107229911
N-[[4-(difluoromethyl)phenyl]methyl]thian-3-amine
CID 104773477

Frequently Asked Questions

What is the IUPAC name of [4-[(thiolan-3-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(thiolan-3-ylamino)methyl]phenyl]methanol (CID 103062820) is [4-[(thiolan-3-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(thiolan-3-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(thiolan-3-ylamino)methyl]phenyl]methanol is OCc1ccc(CNC2CCSC2)cc1.
What is the InChIKey of [4-[(thiolan-3-ylamino)methyl]phenyl]methanol?
The InChIKey is BZZWIPFHEHOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-8-11-3-1-10(2-4-11)7-13-12-5-6-15-9-12/h1-4,12-14H,5-9H2.
What are the key properties of [4-[(thiolan-3-ylamino)methyl]phenyl]methanol?
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol has a molecular weight of 223.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(thiolan-3-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 103062820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).