(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol

C12H21NOS — CID 103871723

IUPAC(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
SMILESCCc1ccc(C(C)N[C@H](C)CCO)s1
InChIInChI=1S/C12H21NOS/c1-4-11-5-6-12(15-11)10(3)13-9(2)7-8-14/h5-6,9-10,13-14H,4,7-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyFKRCTVNWYPLHOW-YHMJZVADSA-N
MW227.37 g/mol
LogP2.73
Rot. Bonds6

About (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol

(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 103871723) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
PubChem CID103871723
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
SMILESCCc1ccc(C(C)N[C@H](C)CCO)s1
InChIInChI=1S/C12H21NOS/c1-4-11-5-6-12(15-11)10(3)13-9(2)7-8-14/h5-6,9-10,13-14H,4,7-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyFKRCTVNWYPLHOW-YHMJZVADSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.73
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
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945989
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid
CID 65055468
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
(4R)-4-[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 97051516
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61333360
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol (CID 103871723) is (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol is CCc1ccc(C(C)N[C@H](C)CCO)s1.
What is the InChIKey of (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is FKRCTVNWYPLHOW-YHMJZVADSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-11-5-6-12(15-11)10(3)13-9(2)7-8-14/h5-6,9-10,13-14H,4,7-8H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol?
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103871723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).