N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine

C9H13NOS — CID 43528182

IUPACN-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccsc1)CC1CO1
InChIInChI=1S/C9H13NOS/c1-10(5-9-6-11-9)4-8-2-3-12-7-8/h2-3,7,9H,4-6H2,1H3
InChIKeyMPKCYEPVPPFHJV-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine

N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 43528182) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID43528182
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCN(Cc1ccsc1)CC1CO1
InChIInChI=1S/C9H13NOS/c1-10(5-9-6-11-9)4-8-2-3-12-7-8/h2-3,7,9H,4-6H2,1H3
InChIKeyMPKCYEPVPPFHJV-UHFFFAOYSA-N
XLogP1.58
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56711474
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939
N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 65261890
N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64734849
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 43528182) is N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine is CN(Cc1ccsc1)CC1CO1.
What is the InChIKey of N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is MPKCYEPVPPFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-10(5-9-6-11-9)4-8-2-3-12-7-8/h2-3,7,9H,4-6H2,1H3.
What are the key properties of N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine?
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 43528182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).