1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine

C9H15NOS2 — CID 107511242

IUPAC1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
SMILESCNC(COC)CSc1cccs1
InChIInChI=1S/C9H15NOS2/c1-10-8(6-11-2)7-13-9-4-3-5-12-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyRRPWYMXHCYUXAR-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.07
Rot. Bonds6

About 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine

1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine (PubChem CID 107511242) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
PubChem CID107511242
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
SMILESCNC(COC)CSc1cccs1
InChIInChI=1S/C9H15NOS2/c1-10-8(6-11-2)7-13-9-4-3-5-12-9/h3-5,8,10H,6-7H2,1-2H3
InChIKeyRRPWYMXHCYUXAR-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821282
(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098628
2-(2,2-diethoxyethylsulfanyl)thiophene
CID 12623867
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
CID 107511336
1-(1,3-benzothiazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107511245
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107784074
1-(2,4-difluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 107511222
1-thiophen-2-ylsulfanylpentan-2-amine
CID 64615474
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine (CID 107511242) is 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine is CNC(COC)CSc1cccs1.
What is the InChIKey of 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine?
The InChIKey is RRPWYMXHCYUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-10-8(6-11-2)7-13-9-4-3-5-12-9/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine?
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 107511242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).