2-(thiophen-3-ylmethylamino)butan-1-ol

C9H15NOS — CID 4723840

IUPAC2-(thiophen-3-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1ccsc1
InChIInChI=1S/C9H15NOS/c1-2-9(6-11)10-5-8-3-4-12-7-8/h3-4,7,9-11H,2,5-6H2,1H3
InChIKeyDYSPYWBKPREQBV-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.61
Rot. Bonds5

About 2-(thiophen-3-ylmethylamino)butan-1-ol

2-(thiophen-3-ylmethylamino)butan-1-ol (PubChem CID 4723840) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylamino)butan-1-ol
PubChem CID4723840
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-(thiophen-3-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1ccsc1
InChIInChI=1S/C9H15NOS/c1-2-9(6-11)10-5-8-3-4-12-7-8/h3-4,7,9-11H,2,5-6H2,1H3
InChIKeyDYSPYWBKPREQBV-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Cyclopropylmethyl)(3-thienylmethyl)amino]butan-1-ol
CID 46990204
2-[(3-Methylbut-2-en-1-yl)(3-thienylmethyl)amino]butan-1-ol
CID 46999102
2-Methyl-2-{[(thiophen-3-yl)methyl]amino}propan-1-ol
CID 4723833
(2-Methoxyethyl)(3-thienylmethyl)amine hydrochloride
CID 17332357
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
N-(thiophen-3-ylmethyl)butan-2-amine
CID 4723850
2-[(3-Thienylmethyl)(4,4,4-trifluorobutyl)amino]butan-1-ol
CID 50978911
(2S)-2-[thiophen-3-ylmethyl(4,4,4-trifluorobutyl)amino]butan-1-ol
CID 52398256
(2R)-2-[thiophen-3-ylmethyl(4,4,4-trifluorobutyl)amino]butan-1-ol
CID 52398258
1,1,1-Trifluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 61529878
1,1-Difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 103731415
2,2-Difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol
CID 104857740

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(thiophen-3-ylmethylamino)butan-1-ol (CID 4723840) is 2-(thiophen-3-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(thiophen-3-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(thiophen-3-ylmethylamino)butan-1-ol is CCC(CO)NCc1ccsc1.
What is the InChIKey of 2-(thiophen-3-ylmethylamino)butan-1-ol?
The InChIKey is DYSPYWBKPREQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-9(6-11)10-5-8-3-4-12-7-8/h3-4,7,9-11H,2,5-6H2,1H3.
What are the key properties of 2-(thiophen-3-ylmethylamino)butan-1-ol?
2-(thiophen-3-ylmethylamino)butan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylamino)butan-1-ol is sourced from PubChem (CID 4723840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).