1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine

C11H19NOS — CID 83175814

IUPAC1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1ccco1
InChIInChI=1S/C11H19NOS/c1-3-6-12-10(9-14-2)8-11-5-4-7-13-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeyHAEQXVLLFYVLNS-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.55
Rot. Bonds7

About 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine

1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine (PubChem CID 83175814) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
PubChem CID83175814
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1ccco1
InChIInChI=1S/C11H19NOS/c1-3-6-12-10(9-14-2)8-11-5-4-7-13-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeyHAEQXVLLFYVLNS-UHFFFAOYSA-N
XLogP2.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83175758
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine (CID 83175814) is 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine?
The InChIKey is HAEQXVLLFYVLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-6-12-10(9-14-2)8-11-5-4-7-13-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine?
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 83175814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).