(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol

C11H19NOS — CID 106932766

IUPAC(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCC(C)N(Cc1cccs1)C[C@H](C)O
InChIInChI=1S/C11H19NOS/c1-9(2)12(7-10(3)13)8-11-5-4-6-14-11/h4-6,9-10,13H,7-8H2,1-3H3/t10-/m0/s1
InChIKeyYFVWSDIHBHTGGK-JTQLQIEISA-N
MW213.35 g/mol
LogP2.34
Rot. Bonds5

About (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol

(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 106932766) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID106932766
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCC(C)N(Cc1cccs1)C[C@H](C)O
InChIInChI=1S/C11H19NOS/c1-9(2)12(7-10(3)13)8-11-5-4-6-14-11/h4-6,9-10,13H,7-8H2,1-3H3/t10-/m0/s1
InChIKeyYFVWSDIHBHTGGK-JTQLQIEISA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948
1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62265973
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585
3,3,3-trifluoro-N'-hydroxy-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]propanimidamide
CID 103369328
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 106932766) is (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol is CC(C)N(Cc1cccs1)C[C@H](C)O.
What is the InChIKey of (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is YFVWSDIHBHTGGK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(2)12(7-10(3)13)8-11-5-4-6-14-11/h4-6,9-10,13H,7-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 106932766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).