3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine

C14H22N2S — CID 79950710

IUPAC3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
SMILESCC1CC(CN)(NC(C)c2ccccc2)CS1
InChIInChI=1S/C14H22N2S/c1-11-8-14(9-15,10-17-11)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,15H2,1-2H3
InChIKeyBYKSFDGCLHMSLI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.56
Rot. Bonds4

About 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine

3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine (PubChem CID 79950710) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
PubChem CID79950710
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
SMILESCC1CC(CN)(NC(C)c2ccccc2)CS1
InChIInChI=1S/C14H22N2S/c1-11-8-14(9-15,10-17-11)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,15H2,1-2H3
InChIKeyBYKSFDGCLHMSLI-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine
CID 65193981
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine
CID 65193606
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine
CID 65194136
[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
CID 79950058
cis-(1S,2S)-1-diethoxyphosphoryl-2-methyl-N-[(1R)-1-phenylethyl]cyclopropan-1-amine
CID 10781332
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020
N-[(1R)-1-phenylethyl]-1-prop-2-enylcyclooctan-1-amine
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N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
CID 3844507
[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
CID 95323120

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine (CID 79950710) is 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine is CC1CC(CN)(NC(C)c2ccccc2)CS1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
The InChIKey is BYKSFDGCLHMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-8-14(9-15,10-17-11)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine is sourced from PubChem (CID 79950710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).