4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol

C9H16N2OS — CID 83934772

IUPAC4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol
SMILESCNC(CCN)C(O)c1cccs1
InChIInChI=1S/C9H16N2OS/c1-11-7(4-5-10)9(12)8-3-2-6-13-8/h2-3,6-7,9,11-12H,4-5,10H2,1H3
InChIKeyKFXHGQNBCVHNPW-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.72
Rot. Bonds5

About 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol

4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol (PubChem CID 83934772) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol
PubChem CID83934772
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol
SMILESCNC(CCN)C(O)c1cccs1
InChIInChI=1S/C9H16N2OS/c1-11-7(4-5-10)9(12)8-3-2-6-13-8/h2-3,6-7,9,11-12H,4-5,10H2,1H3
InChIKeyKFXHGQNBCVHNPW-UHFFFAOYSA-N
XLogP0.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
3-methyl-4-thiophen-2-ylpentan-1-amine
CID 83934757
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol (CID 83934772) is 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol is CNC(CCN)C(O)c1cccs1.
What is the InChIKey of 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol?
The InChIKey is KFXHGQNBCVHNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-11-7(4-5-10)9(12)8-3-2-6-13-8/h2-3,6-7,9,11-12H,4-5,10H2,1H3.
What are the key properties of 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol?
4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 83934772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).