N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C9H17F3N2OS — CID 172624090

IUPACN-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(C1CNC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2OS/c1-8(2,3)16(15)14-7(9(10,11)12)6-4-13-5-6/h6-7,13-14H,4-5H2,1-3H3
InChIKeyJSKMJKVTFHUNEP-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.19
Rot. Bonds3

About N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 172624090) has the molecular formula C9H17F3N2OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID172624090
Molecular FormulaC9H17F3N2OS
Molecular Weight258.31 g/mol
Exact Mass258.10
IUPAC NameN-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(C1CNC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2OS/c1-8(2,3)16(15)14-7(9(10,11)12)6-4-13-5-6/h6-7,13-14H,4-5H2,1-3H3
InChIKeyJSKMJKVTFHUNEP-UHFFFAOYSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 172624090) is N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(C1CNC1)C(F)(F)F.
What is the InChIKey of N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JSKMJKVTFHUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2OS/c1-8(2,3)16(15)14-7(9(10,11)12)6-4-13-5-6/h6-7,13-14H,4-5H2,1-3H3.
What are the key properties of N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 258.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172624090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).