N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine

C10H15NOS2 — CID 64614002

IUPACN-methyl-3-thiophen-2-ylsulfanyloxan-4-amine
SMILESCNC1CCOCC1Sc1cccs1
InChIInChI=1S/C10H15NOS2/c1-11-8-4-5-12-7-9(8)14-10-3-2-6-13-10/h2-3,6,8-9,11H,4-5,7H2,1H3
InChIKeyLRLGKMICMAFUSZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.22
Rot. Bonds3

About N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine

N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine (PubChem CID 64614002) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-thiophen-2-ylsulfanyloxan-4-amine
PubChem CID64614002
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC NameN-methyl-3-thiophen-2-ylsulfanyloxan-4-amine
SMILESCNC1CCOCC1Sc1cccs1
InChIInChI=1S/C10H15NOS2/c1-11-8-4-5-12-7-9(8)14-10-3-2-6-13-10/h2-3,6,8-9,11H,4-5,7H2,1H3
InChIKeyLRLGKMICMAFUSZ-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 62576498
3-methoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 62576705
4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
CID 62578158
N-(3-ethoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62579007
N-(3-methoxypropyl)-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62579220
3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
CID 62579225
N-(2-thiophen-2-ylsulfanylethyl)oxan-4-amine
CID 63098496
3-Thiophen-2-ylsulfanyloxan-4-amine
CID 64612542
N-ethyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613800
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802
3-Thiophen-2-ylsulfonyloxan-4-amine
CID 64645598
N-methyl-3-thiophen-2-ylsulfonyloxan-4-amine
CID 64645602

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine?
The IUPAC name of N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine (CID 64614002) is N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine.
What is the SMILES notation for N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine?
The canonical SMILES for N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine is CNC1CCOCC1Sc1cccs1.
What is the InChIKey of N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine?
The InChIKey is LRLGKMICMAFUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-11-8-4-5-12-7-9(8)14-10-3-2-6-13-10/h2-3,6,8-9,11H,4-5,7H2,1H3.
What are the key properties of N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine?
N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine has a molecular weight of 229.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine is sourced from PubChem (CID 64614002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).