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

C13H19NS2 — CID 115724831

IUPACN-(2-phenylsulfanylpropyl)thiolan-3-amine
SMILESCC(CNC1CCSC1)Sc1ccccc1
InChIInChI=1S/C13H19NS2/c1-11(9-14-12-7-8-15-10-12)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyKSEIKZBLGVJPEG-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.26
Rot. Bonds5

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

N-(2-phenylsulfanylpropyl)thiolan-3-amine (PubChem CID 115724831) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)thiolan-3-amine
PubChem CID115724831
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC NameN-(2-phenylsulfanylpropyl)thiolan-3-amine
SMILESCC(CNC1CCSC1)Sc1ccccc1
InChIInChI=1S/C13H19NS2/c1-11(9-14-12-7-8-15-10-12)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyKSEIKZBLGVJPEG-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine
CID 115677395
N-(2-thiophen-2-ylpropyl)thiolan-3-amine
CID 115722114
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[2-(2-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62578432
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223
(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
CID 95123138
N-(3-phenylbutyl)thian-3-amine
CID 62988894

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)thiolan-3-amine?
The IUPAC name of N-(2-phenylsulfanylpropyl)thiolan-3-amine (CID 115724831) is N-(2-phenylsulfanylpropyl)thiolan-3-amine.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)thiolan-3-amine?
The canonical SMILES for N-(2-phenylsulfanylpropyl)thiolan-3-amine is CC(CNC1CCSC1)Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylpropyl)thiolan-3-amine?
The InChIKey is KSEIKZBLGVJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-11(9-14-12-7-8-15-10-12)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of N-(2-phenylsulfanylpropyl)thiolan-3-amine?
N-(2-phenylsulfanylpropyl)thiolan-3-amine has a molecular weight of 253.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)thiolan-3-amine is sourced from PubChem (CID 115724831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).