2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine

C11H17NS2 — CID 102684058

IUPAC2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
SMILESCC1SCCC1N[C@H](C)c1cccs1
InChIInChI=1S/C11H17NS2/c1-8(11-4-3-6-14-11)12-10-5-7-13-9(10)2/h3-4,6,8-10,12H,5,7H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyWYKMRWRLXZSOPU-XNWIYYODSA-N
MW227.40 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine

2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine (PubChem CID 102684058) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
PubChem CID102684058
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
SMILESCC1SCCC1N[C@H](C)c1cccs1
InChIInChI=1S/C11H17NS2/c1-8(11-4-3-6-14-11)12-10-5-7-13-9(10)2/h3-4,6,8-10,12H,5,7H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyWYKMRWRLXZSOPU-XNWIYYODSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
N-[(1R)-1-thiophen-2-ylethyl]bicyclo[3.1.0]hexan-2-amine
CID 130525491
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine (CID 102684058) is 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine is CC1SCCC1N[C@H](C)c1cccs1.
What is the InChIKey of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine?
The InChIKey is WYKMRWRLXZSOPU-XNWIYYODSA-N. The full InChI is InChI=1S/C11H17NS2/c1-8(11-4-3-6-14-11)12-10-5-7-13-9(10)2/h3-4,6,8-10,12H,5,7H2,1-2H3/t8-,9?,10?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine?
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine is sourced from PubChem (CID 102684058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).