(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

C10H17NOS — CID 94254566

IUPAC(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CCc1cccs1
InChIInChI=1S/C10H17NOS/c1-9(12)8-11(2)6-5-10-4-3-7-13-10/h3-4,7,9,12H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyCQQFGYCJCHHBMY-VIFPVBQESA-N
MW199.32 g/mol
LogP1.60
Rot. Bonds5

About (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 94254566) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID94254566
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CCc1cccs1
InChIInChI=1S/C10H17NOS/c1-9(12)8-11(2)6-5-10-4-3-7-13-10/h3-4,7,9,12H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyCQQFGYCJCHHBMY-VIFPVBQESA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (CID 94254566) is (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is C[C@H](O)CN(C)CCc1cccs1.
What is the InChIKey of (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is CQQFGYCJCHHBMY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(12)8-11(2)6-5-10-4-3-7-13-10/h3-4,7,9,12H,5-6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 94254566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).