4-amino-1-thiophen-3-ylheptan-3-ol

C11H19NOS — CID 83927744

IUPAC4-amino-1-thiophen-3-ylheptan-3-ol
SMILESCCCC(N)C(O)CCc1ccsc1
InChIInChI=1S/C11H19NOS/c1-2-3-10(12)11(13)5-4-9-6-7-14-8-9/h6-8,10-11,13H,2-5,12H2,1H3
InChIKeyBDPVIGRUJIFPGL-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-1-thiophen-3-ylheptan-3-ol

4-amino-1-thiophen-3-ylheptan-3-ol (PubChem CID 83927744) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-amino-1-thiophen-3-ylheptan-3-ol.

Molecular Properties

Compound Name4-amino-1-thiophen-3-ylheptan-3-ol
PubChem CID83927744
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-amino-1-thiophen-3-ylheptan-3-ol
SMILESCCCC(N)C(O)CCc1ccsc1
InChIInChI=1S/C11H19NOS/c1-2-3-10(12)11(13)5-4-9-6-7-14-8-9/h6-8,10-11,13H,2-5,12H2,1H3
InChIKeyBDPVIGRUJIFPGL-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
1-thiophen-3-ylnonan-3-amine
CID 115857036
4-methoxy-1-thiophen-3-ylhexan-3-amine
CID 116715242
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
2-(2-thiophen-3-ylacetyl)pentanehydrazide
CID 141017390
azane;3-propylthiophene
CID 174446539
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-thiophen-3-ylheptan-3-ol?
The IUPAC name of 4-amino-1-thiophen-3-ylheptan-3-ol (CID 83927744) is 4-amino-1-thiophen-3-ylheptan-3-ol.
What is the SMILES notation for 4-amino-1-thiophen-3-ylheptan-3-ol?
The canonical SMILES for 4-amino-1-thiophen-3-ylheptan-3-ol is CCCC(N)C(O)CCc1ccsc1.
What is the InChIKey of 4-amino-1-thiophen-3-ylheptan-3-ol?
The InChIKey is BDPVIGRUJIFPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-3-10(12)11(13)5-4-9-6-7-14-8-9/h6-8,10-11,13H,2-5,12H2,1H3.
What are the key properties of 4-amino-1-thiophen-3-ylheptan-3-ol?
4-amino-1-thiophen-3-ylheptan-3-ol has a molecular weight of 213.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-thiophen-3-ylheptan-3-ol is sourced from PubChem (CID 83927744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).