(2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine

C8H19NOS — CID 28613055

IUPAC(2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCOC[C@@H](C)NCCCSC
InChIInChI=1S/C8H19NOS/c1-8(7-10-2)9-5-4-6-11-3/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOHLQBXINZSUXQR-MRVPVSSYSA-N
MW177.31 g/mol
LogP1.36
Rot. Bonds7

About (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine

(2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine (PubChem CID 28613055) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
PubChem CID28613055
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name(2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCOC[C@@H](C)NCCCSC
InChIInChI=1S/C8H19NOS/c1-8(7-10-2)9-5-4-6-11-3/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOHLQBXINZSUXQR-MRVPVSSYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.36
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

N-(3-Methoxypropyl)tetrahydrothiophen-3-amine
CID 2849476
(2-Methoxy-1-methylethyl)tetrahydro-3-thienylamine
CID 2849473
N-(2-methoxyethyl)thian-3-amine
CID 62873232
3-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 60733356
3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 103778133
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylsulfanylpropan-1-amine
CID 105905286
1-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115710763
1-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 115710774
1-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 116088367
1-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 116088641
4-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 116127010
4-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116127278

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine (CID 28613055) is (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine is COC[C@@H](C)NCCCSC.
What is the InChIKey of (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
The InChIKey is OHLQBXINZSUXQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(7-10-2)9-5-4-6-11-3/h8-9H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
(2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine has a molecular weight of 177.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine is sourced from PubChem (CID 28613055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).