N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine

C13H21NO2S — CID 102671412

IUPACN-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCCOCc1ccco1
InChIInChI=1S/C13H21NO2S/c1-11-13(5-9-17-11)14-6-3-7-15-10-12-4-2-8-16-12/h2,4,8,11,13-14H,3,5-7,9-10H2,1H3
InChIKeyICYKIOICQKWMIN-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.67
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine

N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine (PubChem CID 102671412) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
PubChem CID102671412
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCCOCc1ccco1
InChIInChI=1S/C13H21NO2S/c1-11-13(5-9-17-11)14-6-3-7-15-10-12-4-2-8-16-12/h2,4,8,11,13-14H,3,5-7,9-10H2,1H3
InChIKeyICYKIOICQKWMIN-UHFFFAOYSA-N
XLogP2.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
CID 61308016
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753620
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
CID 65087332
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine (CID 102671412) is N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine is CC1SCCC1NCCCOCc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine?
The InChIKey is ICYKIOICQKWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11-13(5-9-17-11)14-6-3-7-15-10-12-4-2-8-16-12/h2,4,8,11,13-14H,3,5-7,9-10H2,1H3.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine?
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine has a molecular weight of 255.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).