1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine

C13H23NOS — CID 83174851

IUPAC1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1ccco1
InChIInChI=1S/C13H23NOS/c1-5-14-11(10-16-13(2,3)4)9-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3
InChIKeyINIMDSNHDOJXFC-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.33
Rot. Bonds6

About 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine

1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine (PubChem CID 83174851) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
PubChem CID83174851
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1ccco1
InChIInChI=1S/C13H23NOS/c1-5-14-11(10-16-13(2,3)4)9-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3
InChIKeyINIMDSNHDOJXFC-UHFFFAOYSA-N
XLogP3.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
CID 115706553
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate
CID 163432769
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475733
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
N-ethyl-1-(furan-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 83176070
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
N-ethyl-1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-amine
CID 83182860

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine (CID 83174851) is 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine is CCNC(CSC(C)(C)C)Cc1ccco1.
What is the InChIKey of 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine?
The InChIKey is INIMDSNHDOJXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-14-11(10-16-13(2,3)4)9-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine?
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 83174851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).