1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine

C13H23NOS — CID 83175545

IUPAC1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
SMILESCCNC(CSC(C)CC)Cc1ccoc1
InChIInChI=1S/C13H23NOS/c1-4-11(3)16-10-13(14-5-2)8-12-6-7-15-9-12/h6-7,9,11,13-14H,4-5,8,10H2,1-3H3
InChIKeyHLPFVTRETHDYLB-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.33
Rot. Bonds8

About 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine

1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine (PubChem CID 83175545) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
PubChem CID83175545
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
SMILESCCNC(CSC(C)CC)Cc1ccoc1
InChIInChI=1S/C13H23NOS/c1-4-11(3)16-10-13(14-5-2)8-12-6-7-15-9-12/h6-7,9,11,13-14H,4-5,8,10H2,1-3H3
InChIKeyHLPFVTRETHDYLB-UHFFFAOYSA-N
XLogP3.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913
N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
CID 105029887
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
N-ethyl-1-(furan-3-yl)-4-methoxybutan-2-amine
CID 83176013
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932103
1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine (CID 83175545) is 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine is CCNC(CSC(C)CC)Cc1ccoc1.
What is the InChIKey of 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine?
The InChIKey is HLPFVTRETHDYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-11(3)16-10-13(14-5-2)8-12-6-7-15-9-12/h6-7,9,11,13-14H,4-5,8,10H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine?
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine is sourced from PubChem (CID 83175545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).