(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine

C10H17NOS — CID 94472999

IUPAC(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
SMILESCOC[C@H](C)NCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-9(8-12-2)11-6-5-10-4-3-7-13-10/h3-4,7,9,11H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyDEMOLOOPUMQZDS-VIFPVBQESA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds6

About (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine

(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine (PubChem CID 94472999) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
PubChem CID94472999
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
SMILESCOC[C@H](C)NCCc1cccs1
InChIInChI=1S/C10H17NOS/c1-9(8-12-2)11-6-5-10-4-3-7-13-10/h3-4,7,9,11H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyDEMOLOOPUMQZDS-VIFPVBQESA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560212
N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 106152704
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555499
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
N-[2-(3-methoxypropoxy)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 103178999
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine (CID 94472999) is (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine is COC[C@H](C)NCCc1cccs1.
What is the InChIKey of (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine?
The InChIKey is DEMOLOOPUMQZDS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(8-12-2)11-6-5-10-4-3-7-13-10/h3-4,7,9,11H,5-6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine?
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine is sourced from PubChem (CID 94472999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).