N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine

C12H19NS2 — CID 80722611

IUPACN-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCC1(CNCCc2cccs2)CCCS1
InChIInChI=1S/C12H19NS2/c1-12(6-3-9-15-12)10-13-7-5-11-4-2-8-14-11/h2,4,8,13H,3,5-7,9-10H2,1H3
InChIKeyFGMZMECJPRPIRJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.17
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine

N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 80722611) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID80722611
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCC1(CNCCc2cccs2)CCCS1
InChIInChI=1S/C12H19NS2/c1-12(6-3-9-15-12)10-13-7-5-11-4-2-8-14-11/h2,4,8,13H,3,5-7,9-10H2,1H3
InChIKeyFGMZMECJPRPIRJ-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
N-[(2-methylthiolan-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 80722313
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
N-[(2-methylthiolan-2-yl)methyl]but-3-en-1-amine
CID 80721859
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
CID 63776047
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine (CID 80722611) is N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine is CC1(CNCCc2cccs2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is FGMZMECJPRPIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-12(6-3-9-15-12)10-13-7-5-11-4-2-8-14-11/h2,4,8,13H,3,5-7,9-10H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 80722611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).