N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine

C10H16N2S — CID 115207735

IUPACN-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCC2CNC2)c1
InChIInChI=1S/C10H16N2S/c1-2-10(13-5-1)3-4-11-6-9-7-12-8-9/h1-2,5,9,11-12H,3-4,6-8H2
InChIKeyKRHDQIWZCCJUCE-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.10
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine

N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine (PubChem CID 115207735) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
PubChem CID115207735
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCC2CNC2)c1
InChIInChI=1S/C10H16N2S/c1-2-10(13-5-1)3-4-11-6-9-7-12-8-9/h1-2,5,9,11-12H,3-4,6-8H2
InChIKeyKRHDQIWZCCJUCE-UHFFFAOYSA-N
XLogP1.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S)-2-[(2-thiophen-2-ylethylamino)methyl]pyrrolidine-3,4-diol
CID 11139304
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
CID 95303552
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine (CID 115207735) is N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine is c1csc(CCNCC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine?
The InChIKey is KRHDQIWZCCJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-10(13-5-1)3-4-11-6-9-7-12-8-9/h1-2,5,9,11-12H,3-4,6-8H2.
What are the key properties of N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine?
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115207735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).