(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol

C10H16BrNOS — CID 104980461

IUPAC(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NC(C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-3-8(6-13)12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m0/s1
InChIKeyNVAGHGPADPQEDU-MQWKRIRWSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol

(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 104980461) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
PubChem CID104980461
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NC(C)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-3-8(6-13)12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m0/s1
InChIKeyNVAGHGPADPQEDU-MQWKRIRWSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-ethyl-N-methylpropanamide
CID 103107430

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol (CID 104980461) is (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol is CC[C@@H](CO)NC(C)c1ccc(Br)s1.
What is the InChIKey of (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is NVAGHGPADPQEDU-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-8(6-13)12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol?
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 278.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 104980461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).