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

C13H23NOS — CID 115706553

IUPAC1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCCc1ccco1
InChIInChI=1S/C13H23NOS/c1-11(10-16-13(2,3)4)14-8-7-12-6-5-9-15-12/h5-6,9,11,14H,7-8,10H2,1-4H3
InChIKeyHFOMKTBEQCCANT-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.33
Rot. Bonds6

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

1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine (PubChem CID 115706553) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
PubChem CID115706553
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCCc1ccco1
InChIInChI=1S/C13H23NOS/c1-11(10-16-13(2,3)4)14-8-7-12-6-5-9-15-12/h5-6,9,11,14H,7-8,10H2,1-4H3
InChIKeyHFOMKTBEQCCANT-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-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
N-tert-butyl-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60676843
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
N-[2-(furan-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540382
2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
1-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515502
4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
CID 61221200

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine (CID 115706553) is 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine is CC(CSC(C)(C)C)NCCc1ccco1.
What is the InChIKey of 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine?
The InChIKey is HFOMKTBEQCCANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11(10-16-13(2,3)4)14-8-7-12-6-5-9-15-12/h5-6,9,11,14H,7-8,10H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]propan-2-amine?
1-tert-butylsulfanyl-N-[2-(furan-2-yl)ethyl]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-[2-(furan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115706553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).