amino-(thiophen-2-ylmethylamino)methanol

C6H10N2OS — CID 138478180

IUPACamino-(thiophen-2-ylmethylamino)methanol
SMILESNC(O)NCc1cccs1
InChIInChI=1S/C6H10N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3,6,8-9H,4,7H2
InChIKeyYDGZZAUNBSPWMC-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.07
Rot. Bonds3

About amino-(thiophen-2-ylmethylamino)methanol

amino-(thiophen-2-ylmethylamino)methanol (PubChem CID 138478180) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is amino-(thiophen-2-ylmethylamino)methanol.

Molecular Properties

Compound Nameamino-(thiophen-2-ylmethylamino)methanol
PubChem CID138478180
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Nameamino-(thiophen-2-ylmethylamino)methanol
SMILESNC(O)NCc1cccs1
InChIInChI=1S/C6H10N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3,6,8-9H,4,7H2
InChIKeyYDGZZAUNBSPWMC-UHFFFAOYSA-N
XLogP0.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze amino-(thiophen-2-ylmethylamino)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540
(2S)-2-(thiophen-2-ylmethylamino)butanediamide
CID 151018990
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361

Frequently Asked Questions

What is the IUPAC name of amino-(thiophen-2-ylmethylamino)methanol?
The IUPAC name of amino-(thiophen-2-ylmethylamino)methanol (CID 138478180) is amino-(thiophen-2-ylmethylamino)methanol.
What is the SMILES notation for amino-(thiophen-2-ylmethylamino)methanol?
The canonical SMILES for amino-(thiophen-2-ylmethylamino)methanol is NC(O)NCc1cccs1.
What is the InChIKey of amino-(thiophen-2-ylmethylamino)methanol?
The InChIKey is YDGZZAUNBSPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3,6,8-9H,4,7H2.
What are the key properties of amino-(thiophen-2-ylmethylamino)methanol?
amino-(thiophen-2-ylmethylamino)methanol has a molecular weight of 158.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(thiophen-2-ylmethylamino)methanol is sourced from PubChem (CID 138478180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).