(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol

C11H19NOS — CID 79249026

IUPAC(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCCc1ccsc1
InChIInChI=1S/C11H19NOS/c1-9(2)11(7-13)12-5-3-10-4-6-14-8-10/h4,6,8-9,11-13H,3,5,7H2,1-2H3/t11-/m1/s1
InChIKeyIBDCEPKBEFGUQX-LLVKDONJSA-N
MW213.35 g/mol
LogP1.90
Rot. Bonds6

About (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol

(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol (PubChem CID 79249026) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
PubChem CID79249026
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCCc1ccsc1
InChIInChI=1S/C11H19NOS/c1-9(2)11(7-13)12-5-3-10-4-6-14-8-10/h4,6,8-9,11-13H,3,5,7H2,1-2H3/t11-/m1/s1
InChIKeyIBDCEPKBEFGUQX-LLVKDONJSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-methyl-N-(2-thiophen-3-ylethyl)pentan-3-amine
CID 106353903
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol
CID 115137707
6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
CID 115708370
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol (CID 79249026) is (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol is CC(C)[C@@H](CO)NCCc1ccsc1.
What is the InChIKey of (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol?
The InChIKey is IBDCEPKBEFGUQX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(2)11(7-13)12-5-3-10-4-6-14-8-10/h4,6,8-9,11-13H,3,5,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol?
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol is sourced from PubChem (CID 79249026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).