N-(2-phenoxypropyl)thiolan-3-amine

C13H19NOS — CID 115889988

IUPACN-(2-phenoxypropyl)thiolan-3-amine
SMILESCC(CNC1CCSC1)Oc1ccccc1
InChIInChI=1S/C13H19NOS/c1-11(9-14-12-7-8-16-10-12)15-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyQQPQWPSMXOMCNB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.55
Rot. Bonds5

About N-(2-phenoxypropyl)thiolan-3-amine

N-(2-phenoxypropyl)thiolan-3-amine (PubChem CID 115889988) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2-phenoxypropyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-phenoxypropyl)thiolan-3-amine
PubChem CID115889988
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(2-phenoxypropyl)thiolan-3-amine
SMILESCC(CNC1CCSC1)Oc1ccccc1
InChIInChI=1S/C13H19NOS/c1-11(9-14-12-7-8-16-10-12)15-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyQQPQWPSMXOMCNB-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-(2-phenylsulfanylpropyl)thiolan-3-amine
CID 115724831
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
N-(2-thiophen-2-ylpropyl)thiolan-3-amine
CID 115722114
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
CID 95123138
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-(4-phenoxyphenyl)thiolan-3-amine
CID 43192007
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypropyl)thiolan-3-amine?
The IUPAC name of N-(2-phenoxypropyl)thiolan-3-amine (CID 115889988) is N-(2-phenoxypropyl)thiolan-3-amine.
What is the SMILES notation for N-(2-phenoxypropyl)thiolan-3-amine?
The canonical SMILES for N-(2-phenoxypropyl)thiolan-3-amine is CC(CNC1CCSC1)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxypropyl)thiolan-3-amine?
The InChIKey is QQPQWPSMXOMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-11(9-14-12-7-8-16-10-12)15-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of N-(2-phenoxypropyl)thiolan-3-amine?
N-(2-phenoxypropyl)thiolan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypropyl)thiolan-3-amine is sourced from PubChem (CID 115889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).