2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

C14H19F3N2OS — CID 64806177

IUPAC2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCCNC(CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C14H19F3N2OS/c1-2-19-13(8-20,10-3-4-10)9-21-12-6-5-11(7-18-12)14(15,16)17/h5-7,10,19-20H,2-4,8-9H2,1H3
InChIKeyBDCPSSFUBGNIML-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.94
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 64806177) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID64806177
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCCNC(CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C14H19F3N2OS/c1-2-19-13(8-20,10-3-4-10)9-21-12-6-5-11(7-18-12)14(15,16)17/h5-7,10,19-20H,2-4,8-9H2,1H3
InChIKeyBDCPSSFUBGNIML-UHFFFAOYSA-N
XLogP2.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]acetamide
CID 172433719
N-(1-cyano-1,2-dimethylpropyl)-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanamide
CID 42897568
N-tert-butyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 45854722
N-(3-hydroxypropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 132456191
2-{[5-(Trifluoromethyl)-2-pyridyl]thio}ethan-1-ol
CID 2779637
2-(2-Aminoethylthio)-5-(trifluoromethyl)pyridine
CID 28379997
3-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylpropan-1-amine
CID 28380000
2,2-Dimethyl-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropan-1-ol
CID 71109839
O-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]hydroxylamine
CID 139893242
1-[[5-(Trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
CID 139893291
[(2Z,8S)-3-(4-fluorophenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,6,7,8-tetrahydro-1,4-diazocin-8-yl]methanol
CID 142175851
2,2-Dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol;ethane
CID 144483913

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (CID 64806177) is 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is CCNC(CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is BDCPSSFUBGNIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-2-19-13(8-20,10-3-4-10)9-21-12-6-5-11(7-18-12)14(15,16)17/h5-7,10,19-20H,2-4,8-9H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 320.38 g/mol, XLogP of 2.94, 7 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-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 64806177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).