4-(2-phenylsulfanylethyl)thiolan-3-amine

C12H17NS2 — CID 83196484

IUPAC4-(2-phenylsulfanylethyl)thiolan-3-amine
SMILESNC1CSCC1CCSc1ccccc1
InChIInChI=1S/C12H17NS2/c13-12-9-14-8-10(12)6-7-15-11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2
InChIKeyRLVVSMPWDIROMX-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.86
Rot. Bonds4

About 4-(2-phenylsulfanylethyl)thiolan-3-amine

4-(2-phenylsulfanylethyl)thiolan-3-amine (PubChem CID 83196484) has the molecular formula C12H17NS2 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(2-phenylsulfanylethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(2-phenylsulfanylethyl)thiolan-3-amine
PubChem CID83196484
Molecular FormulaC12H17NS2
Molecular Weight239.41 g/mol
Exact Mass239.08
IUPAC Name4-(2-phenylsulfanylethyl)thiolan-3-amine
SMILESNC1CSCC1CCSc1ccccc1
InChIInChI=1S/C12H17NS2/c13-12-9-14-8-10(12)6-7-15-11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2
InChIKeyRLVVSMPWDIROMX-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(2-phenylsulfanylethyl)thiolane
CID 83191168
4-(2-phenylethyl)thiolan-3-amine
CID 75355570
(E)-7-[4-(2-phenylsulfanylethyl)thiolan-3-yl]hept-2-enoic acid
CID 70400218
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228619
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
3-(2-phenylsulfanylethyl)cycloheptan-1-amine
CID 79223679
1-bromo-2-(2-phenylsulfanylethyl)cycloheptane
CID 79228964
2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
CID 79227500
[4,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 81012156
4-methyl-2-(2-phenylsulfanylethyl)cyclohexane-1-carboxylic acid
CID 81021281
N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 79227744
N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 81026164

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylsulfanylethyl)thiolan-3-amine?
The IUPAC name of 4-(2-phenylsulfanylethyl)thiolan-3-amine (CID 83196484) is 4-(2-phenylsulfanylethyl)thiolan-3-amine.
What is the SMILES notation for 4-(2-phenylsulfanylethyl)thiolan-3-amine?
The canonical SMILES for 4-(2-phenylsulfanylethyl)thiolan-3-amine is NC1CSCC1CCSc1ccccc1.
What is the InChIKey of 4-(2-phenylsulfanylethyl)thiolan-3-amine?
The InChIKey is RLVVSMPWDIROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS2/c13-12-9-14-8-10(12)6-7-15-11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2.
What are the key properties of 4-(2-phenylsulfanylethyl)thiolan-3-amine?
4-(2-phenylsulfanylethyl)thiolan-3-amine has a molecular weight of 239.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylsulfanylethyl)thiolan-3-amine is sourced from PubChem (CID 83196484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).