3-[1-(thian-4-ylamino)ethyl]phenol

C13H19NOS — CID 43748609

IUPAC3-[1-(thian-4-ylamino)ethyl]phenol
SMILESCC(NC1CCSCC1)c1cccc(O)c1
InChIInChI=1S/C13H19NOS/c1-10(11-3-2-4-13(15)9-11)14-12-5-7-16-8-6-12/h2-4,9-10,12,14-15H,5-8H2,1H3
InChIKeyOXPMXVNBWLFYCL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.94
Rot. Bonds3

About 3-[1-(thian-4-ylamino)ethyl]phenol

3-[1-(thian-4-ylamino)ethyl]phenol (PubChem CID 43748609) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-[1-(thian-4-ylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(thian-4-ylamino)ethyl]phenol
PubChem CID43748609
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-[1-(thian-4-ylamino)ethyl]phenol
SMILESCC(NC1CCSCC1)c1cccc(O)c1
InChIInChI=1S/C13H19NOS/c1-10(11-3-2-4-13(15)9-11)14-12-5-7-16-8-6-12/h2-4,9-10,12,14-15H,5-8H2,1H3
InChIKeyOXPMXVNBWLFYCL-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
cis-(1S,3R)-3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 125141418
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
CID 43224338
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thian-4-ylamino)ethyl]phenol?
The IUPAC name of 3-[1-(thian-4-ylamino)ethyl]phenol (CID 43748609) is 3-[1-(thian-4-ylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(thian-4-ylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(thian-4-ylamino)ethyl]phenol is CC(NC1CCSCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(thian-4-ylamino)ethyl]phenol?
The InChIKey is OXPMXVNBWLFYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(11-3-2-4-13(15)9-11)14-12-5-7-16-8-6-12/h2-4,9-10,12,14-15H,5-8H2,1H3.
What are the key properties of 3-[1-(thian-4-ylamino)ethyl]phenol?
3-[1-(thian-4-ylamino)ethyl]phenol has a molecular weight of 237.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thian-4-ylamino)ethyl]phenol is sourced from PubChem (CID 43748609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).