(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol

C11H17NOS — CID 106932763

IUPAC(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C11H17NOS/c1-9(13)7-12(10-4-5-10)8-11-3-2-6-14-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyGBDLPIPVLPCHHU-SECBINFHSA-N
MW211.33 g/mol
LogP2.09
Rot. Bonds5

About (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol

(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 106932763) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID106932763
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESC[C@@H](O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C11H17NOS/c1-9(13)7-12(10-4-5-10)8-11-3-2-6-14-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyGBDLPIPVLPCHHU-SECBINFHSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 113440590
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
[(2R)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 93147255
1-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110885669
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368611
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 106932763) is (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol is C[C@@H](O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is GBDLPIPVLPCHHU-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(13)7-12(10-4-5-10)8-11-3-2-6-14-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol?
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 211.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 106932763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).