2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol

C13H21NO2S — CID 64820378

IUPAC2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
SMILESCCNC(CO)(CSCc1ccco1)C1CC1
InChIInChI=1S/C13H21NO2S/c1-2-14-13(9-15,11-5-6-11)10-17-8-12-4-3-7-16-12/h3-4,7,11,14-15H,2,5-6,8-10H2,1H3
InChIKeyBGCDULYONJROAG-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.26
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol (PubChem CID 64820378) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
PubChem CID64820378
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol
SMILESCCNC(CO)(CSCc1ccco1)C1CC1
InChIInChI=1S/C13H21NO2S/c1-2-14-13(9-15,11-5-6-11)10-17-8-12-4-3-7-16-12/h3-4,7,11,14-15H,2,5-6,8-10H2,1H3
InChIKeyBGCDULYONJROAG-UHFFFAOYSA-N
XLogP2.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
CID 63908434
2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 64807979
2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)-2-(propylamino)propanenitrile
CID 63908229
2-amino-2-cyclopropyl-3-(furan-2-ylmethylsulfanyl)propanamide
CID 63918027
2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
CID 64821265
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
2-cyclopropyl-1-(furan-2-yl)propan-2-ol
CID 83172016
2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784660
2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid
CID 114987433
2,2,3-tris(furan-2-ylmethylsulfanyl)propanoic acid
CID 88542367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol (CID 64820378) is 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol is CCNC(CO)(CSCc1ccco1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol?
The InChIKey is BGCDULYONJROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-2-14-13(9-15,11-5-6-11)10-17-8-12-4-3-7-16-12/h3-4,7,11,14-15H,2,5-6,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propan-1-ol is sourced from PubChem (CID 64820378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).